EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:86215
ChEBI Name1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are docosanoyl and (11Z)-eicosenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC50H98NO8P
Net Charge0
Average Mass872.307
Monoisotopic Mass871.70301
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=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
InChIKeyJTSFTWZTLBUFSL-ZPFYZEQDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Behenoyl-2-eicosenoyl-sn-glycero-3-phosphocholineHMDB
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
Manual XrefsDatabases
HMDB0008538HMDB
LMGP01011097LIPID MAPS