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CHEBI:86133 - 1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86133
ChEBI Name1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (9Z,12Z,15Z)-octadecatrienoyl respectively.
Last Modified9 March 2018
Submitternamrata
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,42H,6-8,10,12-14,16,18-19,24-41H2,1-5H3/b11-9-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKeyFVQGNFUBHWGFCY-HJOYQDMMSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86133) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86133) has functional parent α-linolenic acid (CHEBI:27432)
1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86133) is a phosphatidylcholine 36:4 (CHEBI:64520)
IUPAC Name 
(2R)-2-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:1(9Z)/18:3(9Z,12Z,15Z))LIPID MAPS
GPCho(18:1n9/18:3n3)HMDB
GPCho(18:1w9/18:3w3)HMDB
PC(18:1n9/18:3n3)HMDB
GPCho(18:1/18:3)HMDB
Phosphatidylcholine(18:1n9/18:3n3)HMDB
UniProt Name  Source
1-(9Z-octadecaenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010898LIPID MAPS
HMDB0008107HMDB