CHEBI:86172 - 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86172
ChEBI ASCII Name 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and eicosanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H90NO8P
Net Charge 0
Average Mass 816.18250
Monoisotopic Mass 815.64041
InChI InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
InChIKey MXRBMASUAJMEIJ-FHLWKLDVSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)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 38:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) has functional parent icosanoic acid (CHEBI:28822)
1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name
(2R)-2-(icosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Oleoyl-2-arachidonyl-sn-glycero-3-phosphocholine ChEBI
GPCho(18:1/20:0) ChEBI
GPCho(18:1n9/20:0) ChEBI
GPCho(18:1w9/20:0) ChEBI
PC(18:1(9Z)/20:0) LIPID MAPS
PC(18:1/20:0) ChEBI
PC(18:1n9/20:0) ChEBI
PC(18:1w9/20:0) ChEBI
Phosphatidylcholine(18:1/20:0) ChEBI
Phosphatidylcholine(18:1n9/20:0) ChEBI
Phosphatidylcholine(18:1w9/20:0) ChEBI
Manual Xrefs Databases
HMDB0008109 HMDB
LMGP01010902 LIPID MAPS
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Last Modified
25 June 2015