CHEBI:131661 - 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:131661
ChEBI ASCII Name 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as hexadecanoyl and 9,10-epoxyoctadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H82NO9P
Net Charge 0
Average Mass 776.077
Monoisotopic Mass 775.57272
InChI InChI=1S/C42H82NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-24-28-32-41(44)48-36-38(37-50-53(46,47)49-35-34-43(3,4)5)51-42(45)33-29-25-21-23-27-31-40-39(52-40)30-26-22-13-11-9-7-2/h38-40H,6-37H2,1-5H3/t38-,39?,40?/m1/s1
InChIKey GSWLBFLGSWEXML-YXGYHMDESA-N
SMILES C(OP(=O)(OCC[N+](C)(C)C)[O-])[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC1C(CCCCCCCC)O1)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661)
1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
3-(hexadecanoyloxy)-2-{[8-(3-octyloxiran-2-yl)octanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-palmitoyl-2-(9,10-epoxystearoyl)-sn-glycero-3-phosphocholine ChEBI
1-palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine ChEBI
Manual Xref Database
117719 ChemSpider
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Citation Waiting for Citations Type Source
27471436 PubMed citation Europe PMC
Last Modified
16 November 2016