CHEBI:86330 - 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86330
ChEBI ASCII Name 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Definition A 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is (6Z)-octadecenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H84NO8P
Net Charge 0
Average Mass 786.115
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/h26-29,42H,6-25,30-41H2,1-5H3/b28-26-,29-27-/t42-/m1/s1
InChIKey KLJBLQFSKZACGJ-MMKOEKFTSA-N
SMILES [C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC
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: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86330) has functional parent petroselinic acid (CHEBI:28194)
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86330) has role human metabolite (CHEBI:77746)
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86330) is a 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine (CHEBI:84836)
IUPAC Name
(2R)-2,3-bis{[(6Z)-octadec-6-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
1,2-dipetroselenoyl-sn-glycero-3-phosphocholine ChEBI
Manual Xref Database
LMGP01010868 LIPID MAPS
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Citation Waiting for Citations Type Source
25502724 PubMed citation Europe PMC
Last Modified
11 April 2018