CHEBI:136381 - 1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:136381
ChEBI ASCII Name 1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Definition A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as icosyl and (9Z,12Z)-octadecadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H90NO7P
Net Charge 0
Average Mass 800.185
Monoisotopic Mass 799.64549
InChI InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,45H,6-14,16,18-20,22-24,26-44H2,1-5H3/b17-15-,25-21-/t45-/m1/s1
InChIKey KSVCHPBKMOYADU-KDVWGDQKSA-N
SMILES [C@@H](COCCCCCCCCCCCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
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 phosphatidylcholine O-38:2 )
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ChEBI Ontology
Outgoing 1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:136381) has functional parent linoleic acid (CHEBI:17351)
1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:136381) has role human xenobiotic metabolite (CHEBI:76967)
1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:136381) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:136381) is a phosphatidylcholine O-38:2 (CHEBI:67069)
IUPAC Name
(2R)-3-(icosyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-arachidyl-2-linoleoyl-sn-glycero-3-phosphocholine ChEBI
1-eicosyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine LIPID MAPS
1-eicosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine ChEBI
PC(O-20:0/18:2(9Z,12Z)) ChEBI
Manual Xref Database
LMGP01020228 LIPID MAPS
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Last Modified
19 January 2018