CHEBI:86418 - 1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86418
ChEBI ASCII Name 1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 42:2 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,9Z)-hexacosadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H96NO8P
Net Charge 0
Average Mass 870.27290
Monoisotopic Mass 869.68736
InChI InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h28-29,35,37,48H,6-27,30-34,36,38-47H2,1-5H3/b29-28-,37-35-/t48-/m1/s1
InChIKey ITFWNTFYLTWDNT-DDPSORSSSA-N
SMILES CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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 42:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) has functional parent (5Z,9Z)-5,9-hexacosadienoic acid (CHEBI:86419)
1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(5Z,9Z)-hexacosadienoyl]-sn-glycero-3-phosphocholine (CHEBI:86418) is a phosphatidylcholine 42:2 (CHEBI:66969)
IUPAC Name
(2R)-2-{[(5Z,9Z)-hexacosa-5,9-dienoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(16:0/26:2(5Z,9Z)) LIPID MAPS
Manual Xref Database
LMGP01010665 LIPID MAPS
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Last Modified
10 July 2015