CHEBI:84821 - 1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84821
ChEBI ASCII Name 1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (6Z,9Z)-octadecadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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/h21,23,27,29,42H,6-20,22,24-26,28,30-41H2,1-5H3/b23-21-,29-27-/t42-/m1/s1
InChIKey PNNRCVLUZNDRRG-SGMTWIHVSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84821) has functional parent (6Z,9Z)-octadecadienoic acid (CHEBI:82749)
1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84821) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84821) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84821) is a phosphatidylcholine 36:2 (CHEBI:64433)
IUPAC Name
(2R)-2-[(6Z,9Z)-octadeca-6,9-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
PC(18:0/18:2(6Z,9Z)) LIPID MAPS
PC(18:0/18:2) LIPID MAPS
Manual Xref Database
LMGP01010766 LIPID MAPS
View more database links
Last Modified
16 February 2015