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CHEBI:86188 - 1-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86188
ChEBI Name1-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z)-eicosenoyl respectively.
Last Modified26 June 2015
Submitternamrata
DownloadsMolfile
FormulaC48H94NO8P
Net Charge0
Average Mass844.253
Monoisotopic Mass843.67171
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H94NO8P/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/h21,23,46H,6-20,22,24-45H2,1-5H3/b23-21-/t46-/m1/s1
InChIKeyBUESVEVOCVSHOF-CRPILRSJSA-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-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86188) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
1-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86188) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86188) is a phosphatidylcholine 40:1 (CHEBI:66865)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-{[(11Z)-icos-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(20:0/20:1w9)HMDB
Phosphatidylcholine(20:0/20:1w9)HMDB
GPCho(20:0/20:1n9)HMDB
PC(20:0/20:1n9)HMDB
1-Arachidonyl-2-eicosenoyl-sn-glycero-3-phosphocholineHMDB
Phosphatidylcholine(20:0/20:1n9)HMDB
Manual XrefsDatabases
HMDB0008275HMDB
LMGP01011017LIPID MAPS