CHEBI:86449 - 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86449
ChEBI ASCII Name 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-42:1 in which the alkyl and acyl groups specified at positions 1 and 2 are icosyl and (11Z)-docosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C50H100NO7P
Net Charge 0
Average Mass 858.30530
Monoisotopic Mass 857.72374
InChI InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h24,26,49H,6-23,25,27-48H2,1-5H3/b26-24-/t49-/m1/s1
InChIKey ARBABUWZWGEHBW-XXPSLULPSA-N
SMILES CCCCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCCCC
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 O-42:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) has functional parent cetoleic acid (CHEBI:32428)
1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) is a phosphatidylcholine O-42:1 (CHEBI:85583)
IUPAC Name
(2R)-2-{[(11Z)-docos-11-enoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-eicosyl-2-(11Z-docosenoyl)-glycero-3-phosphocholine LIPID MAPS
PC(O-20:0/22:1(11Z)) LIPID MAPS
Manual Xref Database
LMGP01020241 LIPID MAPS
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Last Modified
13 July 2015