CHEBI:136371 - 1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:136371
ChEBI ASCII Name 1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine
Definition A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as (11Z)-octadecenyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H54NO6P
Net Charge 0
Average Mass 507.685
Monoisotopic Mass 507.36888
InChI InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h10-11,26,28H,5-9,12-25H2,1-4H3/b11-10-/t26-/m1/s1
InChIKey HEEMBWYZIJABCR-ZXAYODBVSA-N
SMILES [C@@H](COCCCCCCCCCC/C=C\CCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via lysophosphatidylcholine O-18:1 )
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ChEBI Ontology
Outgoing 1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine (CHEBI:136371) has role human xenobiotic metabolite (CHEBI:76967)
1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine (CHEBI:136371) is a 1-alkyl-sn-glycero-3-phosphocholine (CHEBI:30909)
1-[(11Z)-octadecenyl]-sn-glycero-3-phosphocholine (CHEBI:136371) is a lysophosphatidylcholine O-18:1 (CHEBI:64591)
IUPAC Name
(2R)-2-hydroxy-3-{[(11Z)-octadec-11-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine LIPID MAPS
lysophosphatidylcholine O-18:1(11Z)/0:0 ChEBI
PC(O-18:1(11Z)/0:0) LIPID MAPS
Manual Xref Database
LMGP01060034 LIPID MAPS
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Registry Number Type Source
8660530 Reaxys Registry Number Reaxys
Last Modified
18 January 2018