CHEBI:86198 - 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86198
ChEBI ASCII Name 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:2 in which the acyl group specified at positions 1 and 2 is (11Z)-eicosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H92NO8P
Net Charge 0
Average Mass 842.21970
Monoisotopic Mass 841.65606
InChI InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,46H,6-19,24-45H2,1-5H3/b22-20-,23-21-/t46-/m1/s1
InChIKey AEUCYCQYAUFAKH-DITNKEBASA-N
SMILES CCCCCCCC\C=C/CCCCCCCCCC(=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 40:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86198) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86198) is a phosphatidylcholine 40:2 (CHEBI:66864)
IUPAC Name
(2R)-2,3-bis{[(11Z)-icos-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
GPCho(20:1n9/20:1n9) HMDB
GPCho(20:1w9/20:1w9) HMDB
PC(20:1(11Z)/20:1(11Z)) LIPID MAPS
PC(20:1n9/20:1n9) HMDB
PC(20:1w9/20:1w9) HMDB
Phosphatidylcholine(20:1n9/20:1n9) HMDB
Phosphatidylcholine(20:1w9/20:1w9) HMDB
Manual Xrefs Databases
HMDB0008308 HMDB
LMGP01011038 LIPID MAPS
View more database links
Last Modified
29 June 2015