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CHEBI:86198 - 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86198
ChEBI Name1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:2 in which the acyl group specified at positions 1 and 2 is (11Z)-eicosenoyl respectively.
Last Modified29 June 2015
Submitternamrata
DownloadsMolfile
FormulaC48H92NO8P
Net Charge0
Average Mass842.237
Monoisotopic Mass841.65606
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,46H,6-19,24-45H2,1-5H3/b22-20-,23-21-/t46-/m1/s1
InChIKeyAEUCYCQYAUFAKH-DITNKEBASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86198) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86198) is a phosphatidylcholine 40:2 (CHEBI:66864)
IUPAC Name 
(2R)-2,3-bis{[(11Z)-icos-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(20:1(11Z)/20:1(11Z))LIPID MAPS
GPCho(20:1n9/20:1n9)HMDB
PC(20:1n9/20:1n9)HMDB
Phosphatidylcholine(20:1w9/20:1w9)HMDB
PC(20:1w9/20:1w9)HMDB
GPCho(20:1w9/20:1w9)HMDB
Manual XrefsDatabases
LMGP01011038LIPID MAPS
HMDB0008308HMDB