CHEBI:86215 - 1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86215
ChEBI ASCII Name 1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are docosanoyl and (11Z)-eicosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H98NO8P
Net Charge 0
Average Mass 872.28880
Monoisotopic Mass 871.70301
InChI InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h21,23,48H,6-20,22,24-47H2,1-5H3/b23-21-/t48-/m1/s1
InChIKey JTSFTWZTLBUFSL-ZPFYZEQDSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC
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 42:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86215) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86215) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86215) is a phosphatidylcholine 42:1 (CHEBI:66970)
IUPAC Name
(2R)-3-(docosanoyloxy)-2-{[(11Z)-icos-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Behenoyl-2-eicosenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(22:0/20:1n9) HMDB
GPCho(22:0/20:1w9) HMDB
PC(22:0/20:1(11Z)) LIPID MAPS
PC(22:0/20:1n9) HMDB
PC(22:0/20:1w9) HMDB
Phosphatidylcholine(22:0/20:1n9) HMDB
Phosphatidylcholine(22:0/20:1w9) HMDB
Manual Xrefs Databases
HMDB0008538 HMDB
LMGP01011097 LIPID MAPS
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Last Modified
23 October 2015