CHEBI:86130 - 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86130
ChEBI ASCII Name 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-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 (6Z,9Z,12Z)-octadecatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H80NO8P
Net Charge 0
Average Mass 782.097
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/h15,17,20-23,27,29,42H,6-14,16,18-19,24-26,28,30-41H2,1-5H3/b17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
InChIKey KATPUHPZOZWFBR-ZBFGQIGBSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC
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-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) has functional parent γ-linolenic acid (CHEBI:28661)
1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86130) is a phosphatidylcholine 36:4 (CHEBI:64520)
IUPAC Name
(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Oleoyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/18:3) HMDB
GPCho(18:1n9/18:3n6) HMDB
GPCho(18:1w9/18:3w6) HMDB
PC(18:1(9Z)/18:3(6Z,9Z,12Z)) LIPID MAPS
PC(18:1/18:3) HMDB
PC(18:1n9/18:3n6) HMDB
PC(18:1w9/18:3w6) HMDB
Phosphatidylcholine(18:1/18:3) HMDB
Phosphatidylcholine(18:1n9/18:3n6) HMDB
Phosphatidylcholine(18:1w9/18:3w6) HMDB
Manual Xrefs Databases
HMDB0008106 HMDB
LMGP01011603 LIPID MAPS
View more database links
Last Modified
04 January 2021