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Environmental Cheminformatics
pubchem
Commits
d6b420cd
Commit
d6b420cd
authored
Jan 25, 2022
by
Emma Schymanski
Browse files
added new CIDs
parent
ac48c496
Changes
2
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annotations/tps/REFTPS/S74_REFTPS_Substances.csv
View file @
d6b420cd
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@@ -75,29 +75,29 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
162393341,GS-(Z)-8:2 FTUCA,FC(F)(C(=C/C(=O)O)/SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,ZOYZDBBMBCZXPK-BAQGIRSFSA-N,(Z)-8:2 Fluorotelomer unsaturated carboxylic acid glutathione conjugate,
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,GRJRKPMIRMSBNK-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol,DTXSID5044572
91350838,6:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,BGJBRLCWYHDOSY-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol sulfate,DTXSID301023145
NA
,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,QGCRDEVAWUFVFN-UQGZVRACSA-N,6:2 Fluorotelomer alcohol glucuronide,
162396675
,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,QGCRDEVAWUFVFN-UQGZVRACSA-N,6:2 Fluorotelomer alcohol glucuronide,
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,WJSFZGPTEQNWCB-UHFFFAOYSA-N,6:2 Fluorotelomer aldehyde,DTXSID20895379
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,LRWIIEJPCFNNCZ-UHFFFAOYSA-N,6:2 Fluorotelomer carboxylic acid,DTXSID50472556
146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,IRFCYNBOXLFPAS-IWQZZHSRSA-N,(Z)-6:2 Fluorotelomer unsaturated aldehyde,
NA
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,(E)-6:2 Fluorotelomer unsaturated aldehyde,
162396673
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,(E)-6:2 Fluorotelomer unsaturated aldehyde,
86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,BKOBFLVYTXYFQZ-UPHRSURJSA-N,(Z)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID201036280
129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,BKOBFLVYTXYFQZ-OWOJBTEDSA-N,(E)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID30891463
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,JCMNMOBHVPONLD-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol,DTXSID1062122
NA
,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,ZMKOLQPMWYJIKZ-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol sulfate,DTXSID601034662
NA
,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,TYGAIOOXICPGHG-UQGZVRACSA-N,4:2 Fluorotelomer alcohol glucuronide,
162396679
,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,ZMKOLQPMWYJIKZ-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol sulfate,DTXSID601034662
162396677
,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,TYGAIOOXICPGHG-UQGZVRACSA-N,4:2 Fluorotelomer alcohol glucuronide,
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PLXBWBKXCKSJRL-UHFFFAOYSA-N,4:2 Fluorotelomer aldehyde,DTXSID80895239
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PMNVMTIBUIRJHZ-UHFFFAOYSA-N,4:2 Fluorotelomer carboxylic acid,DTXSID401033501
NA
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,HFHWKEZNQKNBEL-HNQUOIGGSA-N,(E)-4:2 Fluorotelomer unsaturated aldehyde,
162396670
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,HFHWKEZNQKNBEL-HNQUOIGGSA-N,(E)-4:2 Fluorotelomer unsaturated aldehyde,
146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,HFHWKEZNQKNBEL-IWQZZHSRSA-N,(Z)-4:2 Fluorotelomer unsaturated aldehyde,
87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,CMFAKTRZLATJOA-UPHRSURJSA-N,(Z)-4:2 Fluorotelomer unsaturated carboxylic acid,
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,CMFAKTRZLATJOA-OWOJBTEDSA-N,(E)-4:2 Fluorotelomer unsaturated carboxylic acid,
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,CMFAKTRZLATJOA-OWOJBTEDSA-N,(E)-4:2 Fluorotelomer unsaturated carboxylic acid,
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,JPMHUDBOKDBBLG-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol,DTXSID6068985
NA
,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,QXFRKSXYXQTUIP-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol sulfate,DTXSID201034660
NA
,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,NFZAQCCKOVPTTE-UQGZVRACSA-N,2:2 Fluorotelomer alcohol glucuronide,
162396676
,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,QXFRKSXYXQTUIP-UHFFFAOYSA-N,2:2 Fluorotelomer alcohol sulfate,DTXSID201034660
162396674
,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,NFZAQCCKOVPTTE-UQGZVRACSA-N,2:2 Fluorotelomer alcohol glucuronide,
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,UNBXLINXSUCFBI-UHFFFAOYSA-N,2:2 Fluorotelomer aldehyde,DTXSID601032654
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,UVLNQGHDUGHTGV-UHFFFAOYSA-N,2:2 Fluorotelomer carboxylic acid,DTXSID301032879
NA
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,HSUJHGMYGPOOSW-IWQZZHSRSA-N,(Z)-2:2 Fluorotelomer unsaturated aldehyde,
NA
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,HSUJHGMYGPOOSW-HNQUOIGGSA-N,(E)-2:2 Fluorotelomer unsaturated aldehyde,
162396672
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,HSUJHGMYGPOOSW-IWQZZHSRSA-N,(Z)-2:2 Fluorotelomer unsaturated aldehyde,
162396671
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,HSUJHGMYGPOOSW-HNQUOIGGSA-N,(E)-2:2 Fluorotelomer unsaturated aldehyde,
23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,WKAYWQKZZYEPTI-UPHRSURJSA-N,(Z)-2:2 Fluorotelomer unsaturated carboxylic acid,
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,WKAYWQKZZYEPTI-OWOJBTEDSA-N,(E)-2:2 Fluorotelomer unsaturated carboxylic acid,
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,WKAYWQKZZYEPTI-OWOJBTEDSA-N,(E)-2:2 Fluorotelomer unsaturated carboxylic acid,
6422,TFA,C(=O)(C(F)(F)F)O,DTQVDTLACAAQTR-UHFFFAOYSA-N,Trifluoroacetic acid,DTXSID9041578
annotations/tps/REFTPS/S74_REFTPS_Transformations.csv
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d6b420cd
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@@ -112,7 +112,7 @@ Predecessor_CID,Predecessor_Name,Predecessor_SMILES,Transformation,Successor_CID
69619,8:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),11282540,(E)-8:2 FTUCA,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O 8:2 FTOH to E-8:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
69619,8:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x3)/(-HF),9554,PFOA,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x3)/(-HF)]>C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 8:2 FTOH to PFOA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,91350838,6:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(COS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 6:2 FTOH to 6:2 FTOH-Sulfate,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
NA
,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 6:2 FTOH to 6:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
162396675
,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 6:2 FTOH to 6:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation,2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation]>C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 6:2 FTOH to 6:2 FTAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,Oxidation,11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[Oxidation]>C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 6:2 FTAL to 6:2 FTCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,alpha-Oxidation,67818,PFHpA,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[alpha-Oxidation]>C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTCA to PFHpA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
...
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@@ -120,75 +120,75 @@ Predecessor_CID,Predecessor_Name,Predecessor_SMILES,Transformation,Successor_CID
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x3),67818,PFHpA,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x3)]>C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTOH to PFHpA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,Oxidation(x2),67818,PFHpA,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[Oxidation(x2)]>C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTAL to PFHpA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF),146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O 6:2 FTAL to Z-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF),
NA
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O 6:2 FTAL to E-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF),
162396673
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O 6:2 FTAL to E-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,Oxidation,86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O>[Oxidation]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O Z-6:2 FTUAL to Z-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation,129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O E-6:2 FTUAL to E-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
162396673
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation,129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O E-6:2 FTUAL to E-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,beta-Oxidation,67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O>[beta-Oxidation]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O Z-6:2 FTUCA to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,beta-Oxidation,67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O>[beta-Oxidation]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O E-6:2 FTUCA to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation,86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O 6:2 FTAL to Z-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation,129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O 6:2 FTAL to E-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation(x2),67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA HydrataseCYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation(x2)]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTAL to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,Oxidation(x2),67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O Z-6:2 FTUAL to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation(x2),67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O E-6:2 FTUAL to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396673
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation(x2),67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O E-6:2 FTUAL to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF),86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O 6:2 FTCA to Z-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF),129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O 6:2 FTCA to E-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,(-HF)/beta-Oxidation,67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F>[(-HF)/beta-Oxidation]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTCA to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O 6:2 FTOH to Z-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),
NA
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O 6:2 FTOH to E-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),
162396673
,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O 6:2 FTOH to E-6:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O 6:2 FTOH to Z-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O 6:2 FTOH to E-6:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x3)/(-HF),67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x3)/(-HF)]>C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O 6:2 FTOH to PFHxA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
NA
,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTOH-Sulfate,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
NA
,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
162396679
,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTOH-Sulfate,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Conjugation,
162396677
,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation,10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation]>C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,Oxidation,15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[Oxidation]>C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTAL to 4:2 FTCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,alpha-Oxidation,75921,PFPeA,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[alpha-Oxidation]>C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O 4:2 FTCA to PFPeA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2),15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)]>C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 4:2 FTOH to 4:2 FTCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x3),75921,PFPeA,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x3)]>C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O 4:2 FTOH to PFPeA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,Oxidation(x2),75921,PFPeA,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[Oxidation(x2)]>C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O 4:2 FTAL to PFPeA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),
NA
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O 4:2 FTAL to (E)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),
162396670
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O 4:2 FTAL to (E)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O 4:2 FTAL to (Z)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,Oxidation,87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O>[Oxidation]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O (Z)-4:2 FTUAL to (Z)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation,
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O (E)-4:2 FTUAL to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
162396670
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation,
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O (E)-4:2 FTUAL to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,beta-Oxidation,9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O>[beta-Oxidation]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (Z)-4:2 FTUCA to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,beta-Oxidation,9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O>[beta-Oxidation]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (E)-4:2 FTUCA to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,beta-Oxidation,9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O>[beta-Oxidation]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (E)-4:2 FTUCA to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation,87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O 4:2 FTAL to (Z)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation,
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTAL to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation,
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTAL to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF)/Oxidation(x2),9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA HydrataseCYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)/Oxidation(x2)]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O 4:2 FTAL to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,Oxidation(x2),9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (Z)-4:2 FTUAL to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation(x2),9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (E)-4:2 FTUAL to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396670
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,Oxidation(x2),9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O (E)-4:2 FTUAL to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O 4:2 FTCA to (Z)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTCA to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF),
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTCA to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,(-HF)/beta-Oxidation,9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F>[(-HF)/beta-Oxidation]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O 4:2 FTCA to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O 4:2 FTOH to (Z)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),
NA
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O 4:2 FTOH to (E)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation/(-HF),
162396670
,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation/(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O 4:2 FTOH to (E)-4:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O 4:2 FTOH to (Z)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),
NA
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTOH to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x2)/(-HF),
162396669
,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O 4:2 FTOH to (E)-4:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Oxidation(x3)/(-HF),9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F>[Oxidation(x3)/(-HF)]>C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O 4:2 FTOH to PFBA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Conjugation,
NA
,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Conjugation]>C(COS(=O)(=O)O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTOH-Sulfate,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Conjugation,
NA
,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Conjugation,
162396676
,2:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Conjugation]>C(COS(=O)(=O)O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTOH-Sulfate,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Conjugation,
162396674
,2:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,NA,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Conjugation]>C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTOH-Gluc,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation,10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation]>C(C=O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,Oxidation,11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[Oxidation]>C(C(=O)O)C(C(F)(F)F)(F)F 2:2 FTAL to 2:2 FTCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,alpha-Oxidation,62356,PFPrA,C(=O)(C(C(F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(F)(F)F)(F)F>[alpha-Oxidation]>C(=O)(C(C(F)(F)F)(F)F)O 2:2 FTCA to PFPrA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x2),11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x2)]>C(C(=O)O)C(C(F)(F)F)(F)F 2:2 FTOH to 2:2 FTCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x3),62356,PFPrA,C(=O)(C(C(F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x3)]>C(=O)(C(C(F)(F)F)(F)F)O 2:2 FTOH to PFPrA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,Oxidation(x2),62356,PFPrA,C(=O)(C(C(F)(F)F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[Oxidation(x2)]>C(=O)(C(C(F)(F)F)(F)F)O 2:2 FTAL to PFPrA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF),
NA
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(/C(F)(F)F)\F)\C=O 2:2 FTAL to (Z)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF),
NA
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(\C(F)(F)F)/F)\C=O 2:2 FTAL to (E)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,Oxidation,23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(F)(F)F)\F)\C=O>[Oxidation]>C(=C(/C(F)(F)F)\F)\C(=O)O (Z)-2:2 FTUAL to (Z)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,Oxidation,
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(F)(F)F)/F)\C(=O)O (E)-2:2 FTUAL to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF),
162396672
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(/C(F)(F)F)\F)\C=O 2:2 FTAL to (Z)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF),
162396671
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(\C(F)(F)F)/F)\C=O 2:2 FTAL to (E)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
162396672
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,Oxidation,23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(F)(F)F)\F)\C=O>[Oxidation]>C(=C(/C(F)(F)F)\F)\C(=O)O (Z)-2:2 FTUAL to (Z)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
162396671
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,Oxidation,
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C=O>[Oxidation]>C(=C(\C(F)(F)F)/F)\C(=O)O (E)-2:2 FTUAL to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,beta-Oxidation,6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(F)(F)F)\F)\C(=O)O>[beta-Oxidation]>C(=O)(C(F)(F)F)O (Z)-2:2 FTUCA to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,beta-Oxidation,6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C(=O)O>[beta-Oxidation]>C(=O)(C(F)(F)F)O (E)-2:2 FTUCA to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,beta-Oxidation,6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C(=O)O>[beta-Oxidation]>C(=O)(C(F)(F)F)O (E)-2:2 FTUCA to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF)/Oxidation,23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(/C(F)(F)F)\F)\C(=O)O 2:2 FTAL to (Z)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF)/Oxidation,
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTAL to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF)/Oxidation,
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)/Oxidation]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTAL to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
10374737,2:2 FTAL,C(C=O)C(C(F)(F)F)(F)F,(-HF)/Oxidation(x2),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA HydrataseCYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C=O)C(C(F)(F)F)(F)F>[(-HF)/Oxidation(x2)]>C(=O)(C(F)(F)F)O 2:2 FTAL to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,Oxidation(x2),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(F)(F)F)\F)\C=O>[Oxidation(x2)]>C(=O)(C(F)(F)F)O (Z)-2:2 FTUAL to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
NA
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,Oxidation(x2),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(F)(F)F)O (E)-2:2 FTUAL to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396672
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,Oxidation(x2),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(/C(F)(F)F)\F)\C=O>[Oxidation(x2)]>C(=O)(C(F)(F)F)O (Z)-2:2 FTUAL to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
162396671
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,Oxidation(x2),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(=C(\C(F)(F)F)/F)\C=O>[Oxidation(x2)]>C(=O)(C(F)(F)F)O (E)-2:2 FTUAL to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,(-HF),23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(/C(F)(F)F)\F)\C(=O)O 2:2 FTCA to (Z)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,(-HF),
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTCA to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,(-HF),
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(F)(F)F)(F)F>[(-HF)]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTCA to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,1,Taxonomy: Rattus norvegicus (Norway rat)
11148047,2:2 FTCA,C(C(=O)O)C(C(F)(F)F)(F)F,(-HF)/beta-Oxidation,6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,Enoyl-CoA Hydratase/Acyl-CoA dehydrogenase/Thiolase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(C(=O)O)C(C(F)(F)F)(F)F>[(-HF)/beta-Oxidation]>C(=O)(C(F)(F)F)O 2:2 FTCA to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,Multiple,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation/(-HF),
NA
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation/(-HF)]>C(=C(/C(F)(F)F)\F)\C=O 2:2 FTOH to (Z)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation/(-HF),
NA
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation/(-HF)]>C(=C(\C(F)(F)F)/F)\C=O 2:2 FTOH to (E)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation/(-HF),
162396672
,(Z)-2:2 FTUAL,C(=C(/C(F)(F)F)\F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation/(-HF)]>C(=C(/C(F)(F)F)\F)\C=O 2:2 FTOH to (Z)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation/(-HF),
162396671
,(E)-2:2 FTUAL,C(=C(\C(F)(F)F)/F)\C=O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation/(-HF)]>C(=C(\C(F)(F)F)/F)\C=O 2:2 FTOH to (E)-2:2 FTUAL,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,2,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x2)/(-HF),23116759,(Z)-2:2 FTUCA,C(=C(/C(F)(F)F)\F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(/C(F)(F)F)\F)\C(=O)O 2:2 FTOH to (Z)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x2)/(-HF),
NA
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTOH to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x2)/(-HF),
162396678
,(E)-2:2 FTUCA,C(=C(\C(F)(F)F)/F)\C(=O)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x2)/(-HF)]>C(=C(\C(F)(F)F)/F)\C(=O)O 2:2 FTOH to (E)-2:2 FTUCA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
108644,2:2 FTOH,C(CO)C(C(F)(F)F)(F)F,Oxidation(x3)/(-HF),6422,TFA,C(=O)(C(F)(F)F)O,10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.1016/j.cbi.2005.06.007,"JW Martin, SA Mabury, PJ O'Brien (2005) Chemico-Biological Interactions 155; 165-180",10.5281/zenodo.4318838,S74 | REFTPS | Transformation Products and Reactions from Literature,CYP-P450/Enoyl-CoA Hydratase,"Male Sprague-Dawley rat - blood, liver, kidneys",C(CO)C(C(F)(F)F)(F)F>[Oxidation(x3)/(-HF)]>C(=O)(C(F)(F)F)O 2:2 FTOH to TFA,NA,"Genesis C8 column, Micro LC (Micromass) triple quadrupole MS, ESI negative; Waters 717 Plus Autosampler",NA,3,Taxonomy: Rattus norvegicus (Norway rat)
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