CHEBI:86112 - 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86112
ChEBI ASCII Name 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z)-octadecadienoyl and octadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H84NO8P
Net Charge 0
Average Mass 786.11340
Monoisotopic Mass 785.59346
InChI InChI=1S/C44H84NO8P/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/h14,16,20,22,42H,6-13,15,17-19,21,23-41H2,1-5H3/b16-14-,22-20-/t42-/m1/s1
InChIKey DZPKSVTWWIZUMS-FPUNCOTOSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 36:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86112) has functional parent linoleic acid (CHEBI:17351)
1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86112) has functional parent octadecanoic acid (CHEBI:28842)
1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86112) is a phosphatidylcholine 36:2 (CHEBI:64433)
IUPAC Name
(2R)-3-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Linoleoyl-2-stearoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:2/18:0) HMDB
GPCho(18:2n6/18:0) HMDB
GPCho(18:2w6/18:0) HMDB
PC(18:2(9Z,12Z)/18:0) LIPID MAPS
PC(18:2/18:0) HMDB
PC(18:2n6/18:0) HMDB
PC(18:2w6/18:0) HMDB
Phosphatidylcholine(18:2/18:0) HMDB
Phosphatidylcholine(18:2n6/18:0) HMDB
Phosphatidylcholine(18:2w6/18:0) HMDB
Manual Xrefs Databases
HMDB0008135 HMDB
LMGP01010935 LIPID MAPS
View more database links
Last Modified
23 October 2015