Commit bc1bcda3 authored by Emma Schymanski's avatar Emma Schymanski
Browse files

added 8:2 TPs from Martin et al

... first part of the 8:2 (and other) TPs from Martin et al DOI: 10.1016/j.cbi.2005.06.007 thanks to Parviel with some modifications
parent d66264d1
......@@ -42,3 +42,11 @@ DTXSID6067331
DTXSID90218051
DTXSID60874027
DTXSID7029904
DTXSID50858139
DTXSID001034664
DTXSID10895489
DTXSID50451109
DTXSID8031863
DTXSID10895626
DTXSID80794091
DTXSID001019143
......@@ -61,3 +61,12 @@ VIONGDJUYAYOPU-UHFFFAOYSA-N
AFWOYEYXUDHGHF-UHFFFAOYSA-N
MIABSAQIFYEDJP-UHFFFAOYSA-N
JJUBFBTUBACDHW-UHFFFAOYSA-N
UZMXIMHOMUBIEV-UQGZVRACSA-N
UWHCRBKABHKUTC-UHFFFAOYSA-N
KDGIOTBLYAPNRR-UHFFFAOYSA-N
XTBXSCIWOVSSGB-UHFFFAOYSA-N
UZUFPBIDKMEQEQ-UHFFFAOYSA-N
LQERGGUGOIACQD-IWQZZHSRSA-N
LQERGGUGOIACQD-HNQUOIGGSA-N
WHZXTVOEGZRRJM-UPHRSURJSA-N
WHZXTVOEGZRRJM-OWOJBTEDSA-N
......@@ -62,3 +62,12 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
3022253,8:2 diPAPS,OP(=O)(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)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,AFWOYEYXUDHGHF-UHFFFAOYSA-N,8:2 Fluorotelomer phosphate diester,DTXSID90218051
10143739,8:2 monoPAPS,OP(O)(=O)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,MIABSAQIFYEDJP-UHFFFAOYSA-N,8:2 Fluorotelomer phosphate monoester,DTXSID60874027
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,JJUBFBTUBACDHW-UHFFFAOYSA-N,8:2 Fluorotelomer alcohol,DTXSID7029904
71750812,8:2 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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,UZMXIMHOMUBIEV-UQGZVRACSA-N,8:2 Fluorotelomer alcohol glucoronide,DTXSID50858139
15936172,8:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,UWHCRBKABHKUTC-UHFFFAOYSA-N,8:2 Fluorotelomer alcohol sulfate,DTXSID001034664
10095866,8:2 FTAL,C(C=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,KDGIOTBLYAPNRR-UHFFFAOYSA-N,8:2 Fluorotelomer aldehyde,DTXSID10895489
10994425,8:2 FTCA,C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,XTBXSCIWOVSSGB-UHFFFAOYSA-N,8:2 Fluorotelomer carboxylic acid,DTXSID50451109
67821,PFNA,C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,Perfluorononanoic acid,DTXSID8031863
20111612,Z-8:2 FTUAL,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,LQERGGUGOIACQD-IWQZZHSRSA-N,Z-8:2 Unsaturated fluorotelomer aldehyde,DTXSID10895626
NA,E-8:2 FTUAL,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,LQERGGUGOIACQD-HNQUOIGGSA-N,E-8:2 Unsaturated fluorotelomer aldehyde,DTXSID80794091
11733192,Z-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,WHZXTVOEGZRRJM-UPHRSURJSA-N,Z-8:2 Unsaturated fluorotelomer carboxylic acid,DTXSID001019143
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,WHZXTVOEGZRRJM-OWOJBTEDSA-N,E-8:2 Unsaturated fluorotelomer carboxylic acid,
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