EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91144 - 1-octadecylglycero-3-phosphocholine

ChEBI IDCHEBI:91144
ChEBI Name1-octadecylglycero-3-phosphocholine
Stars
DefinitionA 1-alkylglycero-3-phosphocholine in which the alkyl group is specified as octadecyl.
Last Modified11 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC26H56NO6P
Net Charge0
Average Mass509.709
Monoisotopic Mass509.38453
SMILESCCCCCCCCCCCCCCCCCCOCC(O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3
InChIKeyXKBJVQHMEXMFDZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS93)
- MetaboLights (MTBLS124)
- MetaboLights (MTBLS90)
- PubMed (25502724)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-octadecylglycero-3-phosphocholine (CHEBI:91144) has role human metabolite (CHEBI:77746)
1-octadecylglycero-3-phosphocholine (CHEBI:91144) is a 1-alkylglycero-3-phosphocholine (CHEBI:78193)
IUPAC Name 
2-hydroxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
lyso-PAF C-18ChEBI
lyso-PC (O-18:0/0:0)ChEBI
Registry NumbersSources
Reaxys:4721672Reaxys
CAS:72490-82-5ChemIDplus
Citations