CHEBI:84822 - 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84822
ChEBI ASCII Name 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:2 in which the acyl groups positions 1 and 2 are specified as octadecanoyl and (9Z,12Z)-octadecadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Secondary ChEBI IDs CHEBI:77708
Supplier Information No supplier information found for this compound.
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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/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
InChIKey FORFDCPQKJHEBF-VPUSDGANSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has functional parent linoleic acid (CHEBI:17351)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) is a phosphatidylcholine 36:2 (CHEBI:64433)
IUPAC Names
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-18:0-2-18:2-phosphatidylcholine MetaCyc
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholine UniProt
1-stearoyl-2-linoleoyl-GPC ChEBI
1-stearoyl-2-linoleoyl-GPC (18:0/18:2) ChEBI
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine LIPID MAPS
18:0-18:2-PC MetaCyc
GPC(18:0/18:2) ChEBI
GPCho(18:0/18:2) HMDB
GPCho(18:0/18:2n6) HMDB
GPCho(18:0/18:2w6) HMDB
GPCho(36:2) HMDB
PC(18:0/18:2(9Z,12Z)) LIPID MAPS
PC(18:0/18:2) HMDB
PC(18:0/18:2n6) HMDB
PC(18:0/18:2w6) HMDB
PC(36:2) HMDB
phosphatidylcholine (1-18:0-2-18:2) MetaCyc
Phosphatidylcholine(18:0/18:2) HMDB
Phosphatidylcholine(18:0/18:2n6) HMDB
Phosphatidylcholine(36:2) HMDB
Manual Xrefs Databases
CPD-8279 MetaCyc
HMDB0008039 HMDB
LMGP01010768 LIPID MAPS
View more database links
Registry Numbers Types Sources
27098-24-4 CAS Registry Number ChemIDplus
6089852 Reaxys Registry Number Reaxys
Citations Types Sources
20233371 PubMed citation Europe PMC
2350495 PubMed citation Europe PMC
24077831 PubMed citation Europe PMC
7794891 PubMed citation SUBMITTER
Last Modified
04 October 2016