CHEBI:39059 - 10-(perfluorobutyl)decyl phosphatidylcholine

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ChEBI Name 10-(perfluorobutyl)decyl phosphatidylcholine
ChEBI ID CHEBI:39059
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H59F18NO8P
Net Charge +1
Average Mass 1030.82202
Monoisotopic Mass 1030.36854
InChI InChI=1S/C38H58F18NO8P/c1-57(2,3)24-25-63-66(60,61)64-27-28(65-30(59)21-17-13-9-5-7-11-15-19-23-32(41,42)34(45,46)36(49,50)38(54,55)56)26-62-29(58)20-16-12-8-4-6-10-14-18-22-31(39,40)33(43,44)35(47,48)37(51,52)53/h28H,4-27H2,1-3H3/p+1
InChIKey IHPBOVQCHVYNKK-UHFFFAOYSA-O
SMILES C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
ChEBI Ontology
Outgoing 10-(perfluorobutyl)decyl phosphatidylcholine (CHEBI:39059) is a organofluorine compound (CHEBI:37143)
10-(perfluorobutyl)decyl phosphatidylcholine (CHEBI:39059) is a phosphatidylcholine(1+) (CHEBI:49183)
IUPAC Name
21,21,22,22,23,23,24,24,24-nonafluoro-4-hydroxy-N,N,N-trimethyl-7-[(12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl)oxy]-10-oxo-3,5,9-trioxa-4-phosphatetracosan-1-aminium 4-oxide
Last Modified
21 April 2008
General Comment
2008-03-11 J. Greiner, J.G. Riess and P. Vierling, Fluorinated surfactants intended for biomedical uses. In: R. Filler, Y. Kobayashi and L. Yagupolskii, Editors, Organofluorine Compounds in Medicinal Chemistry and Biomedical Applications, Elsevier, New York (1993), pp. 339­380