EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75487 - elaidylphosphocholine

ChEBI IDCHEBI:75487
ChEBI Nameelaidylphosphocholine
Stars
DefinitionA phosphocholine that is the mono-1-elaidyl ester of phosphocholine
Last Modified5 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC23H48NO4P
Net Charge0
Average Mass433.614
Monoisotopic Mass433.33210
SMILESCCCCCCCC/C=C/CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C23H48NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h12-13H,5-11,14-23H2,1-4H3/b13-12+
InChIKeySLVOKEOPLJCHCQ-OUKQBFOZSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
elaidylphosphocholine (CHEBI:75487) has role antineoplastic agent (CHEBI:35610)
elaidylphosphocholine (CHEBI:75487) is a phosphocholines (CHEBI:36700)
IUPAC Name 
(9E)-octadec-9-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
(E)-octadec-9-enylphosphocholineChEBI
1-elaidylphosphocholineChEBI
(9E)-octadec-9-en-1-ylphosphocholineChEBI
Manual XrefsDatabases
WO2007071402Patent
Registry NumbersSources
Reaxys:11232021Reaxys
Citations