CHEBI:86427 - 1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86427
ChEBI ASCII Name 1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-34:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (6Z,9Z,12Z)-octadecatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H80NO7P
Net Charge 0
Average Mass 742.06090
Monoisotopic Mass 741.56724
InChI InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,41H,6-13,15,17-19,21,23-24,26,28-40H2,1-5H3/b16-14-,22-20-,27-25-/t41-/m1/s1
InChIKey QEWRXEALGMKRGP-MZWPLUPDSA-N
SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
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 O-34:3 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86427) has functional parent γ-linolenic acid (CHEBI:28661)
1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86427) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86427) is a phosphatidylcholine O-34:3 (CHEBI:64541)
IUPAC Name
(2R)-3-(hexadecyloxy)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(O-16:0/18:3(6Z,9Z,12Z)) LIPID MAPS
Manual Xref Database
LMGP01020041 LIPID MAPS
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Last Modified
24 February 2016