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CHEBI:86190 - 1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86190
ChEBI Name1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and docosanoyl respectively.
Last Modified26 June 2015
Submitternamrata
DownloadsMolfile
FormulaC48H94NO8P
Net Charge0
Average Mass844.253
Monoisotopic Mass843.67171
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1
InChIKeyVKFMYKGEBZVPJU-MLLRONJJSA-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-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) has functional parent docosanoic acid (CHEBI:28941)
1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) is a phosphatidylcholine 40:1 (CHEBI:66865)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Oleoyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
GPCho(18:1n9/22:0)HMDB
GPCho(18:1w9/22:0)HMDB
PC(18:1(9Z)/22:0)LIPID MAPS
PC(18:1n9/22:0)HMDB
PC(18:1w9/22:0)HMDB
Manual XrefsDatabases
HMDB0008117HMDB
LMGP01010909LIPID MAPS