EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183502 - 4-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate

ChEBI IDCHEBI:183502
ChEBI Name4-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H53NO6
Net Charge0
Average Mass499.733
Monoisotopic Mass499.38729
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COCCC(C(=O)[O-])[N+](C)(C)C
InChIInChI=1S/C28H53NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)35-24-25(30)23-34-22-21-26(28(32)33)29(2,3)4/h12-13,25-26,30H,5-11,14-24H2,1-4H3/b13-12-
InChIKeyFTLDFSGPEPRILR-SEYXRHQNSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate (CHEBI:183502) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
4-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate