CHEBI:86114 - 1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86114
ChEBI ASCII Name 1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Definition A 1,2-di-octadecenoylsn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is 11Z)-octadecenoyl .
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/h16-19,42H,6-15,20-41H2,1-5H3/b18-16-,19-17-/t42-/m1/s1
InChIKey XUCDYRWWRZBNCQ-BHOZFUPKSA-N
SMILES CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine )
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 1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86114) has functional parent cis-vaccenic acid (CHEBI:50464)
1,2-di-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86114) is a 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine (CHEBI:84836)
IUPAC Name
(2R)-2,3-bis{[(11Z)-octadec-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
GPCho(18:1/18:1) HMDB
GPCho(18:1n7/18:1n7) HMDB
GPCho(18:1w7/18:1w7) HMDB
PC(18:1(11Z)/18:1(11Z)) LIPID MAPS
PC(18:1/18:1) HMDB
PC(18:1n7/18:1n7) HMDB
PC(18:1w7/18:1w7) HMDB
Phosphatidylcholine(18:1n7/18:1n7) HMDB
Phosphatidylcholine(18:1w7/18:1w7) HMDB
Manual Xrefs Databases
HMDB0008070 HMDB
LMGP01010841 LIPID MAPS
View more database links
Last Modified
23 October 2015