CHEBI:86443 - 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86443
ChEBI ASCII Name 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-40:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (11Z)-docosenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H96NO7P
Net Charge 0
Average Mass 830.25210
Monoisotopic Mass 829.69244
InChI InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h24-25,47H,6-23,26-46H2,1-5H3/b25-24-/t47-/m1/s1
InChIKey CINFSHUMMMEHQB-ITQMVGCCSA-N
SMILES CCCCCCCCCCCCCCCCCCOC[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-40:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) has functional parent cetoleic acid (CHEBI:32428)
1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) is a phosphatidylcholine O-40:1 (CHEBI:85574)
IUPAC Name
(2R)-2-{[(11Z)-docos-11-enoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym Source
PC(O-18:0/22:1(11Z)) LIPID MAPS
Manual Xref Database
LMGP01020213 LIPID MAPS
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Last Modified
13 July 2015