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

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ChEBI Name 1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86133
ChEBI ASCII Name 1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (9Z,12Z,15Z)-octadecatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H80NO8P
Net Charge 0
Average Mass 782.08170
Monoisotopic Mass 781.56216
InChI InChI=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
InChIKey FVQGNFUBHWGFCY-HJOYQDMMSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidylcholine 36:4 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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) has functional parent oleic acid (CHEBI:16196)
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 Sources
1-(9Z-octadecaenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine UniProt
1-Oleoyl-2-alpha-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/18:3) HMDB
GPCho(18:1n9/18:3n3) HMDB
GPCho(18:1w9/18:3w3) HMDB
PC(18:1(9Z)/18:3(9Z,12Z,15Z)) LIPID MAPS
PC(18:1/18:3) HMDB
PC(18:1n9/18:3n3) HMDB
PC(18:1w9/18:3w3) HMDB
Phosphatidylcholine(18:1/18:3) HMDB
Phosphatidylcholine(18:1n9/18:3n3) HMDB
Phosphatidylcholine(18:1w9/18:3w3) HMDB
Manual Xrefs Databases
HMDB0008107 HMDB
LMGP01010898 LIPID MAPS
View more database links
Last Modified
09 March 2018