EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181053 - [3-[(1Z,9Z)-Octadeca-1,9-dienoxy]-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

ChEBI IDCHEBI:181053
ChEBI Name[3-[(1Z,9Z)-Octadeca-1,9-dienoxy]-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H86NO7P
Net Charge0
Average Mass772.146
Monoisotopic Mass771.61419
SMILESCCCCCCCC/C=C\CCCCCC/C=C\OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,36,39,43H,6-19,21,23-35,37-38,40-42H2,1-5H3/b22-20-,39-36-
InChIKeyZOTYCHIFTCFAHC-DJRFHFPXSA-N
ChEBI Ontology
Outgoing Relation(s)
[3-[(1Z,9Z)-Octadeca-1,9-dienoxy]-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate (CHEBI:181053) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[3-[(1Z,9Z)-octadeca-1,9-dienoxy]-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
10424346ChemSpider