EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172461 - Elenolide

ChEBI IDCHEBI:172461
ChEBI NameElenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC/C=C(/C=O)[C@@H]1CC(=O)OC=C1C(=O)OC
InChIInChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1
InChIKeyTXTINTVPMBCGKO-PFPYCLJUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Elenolide (CHEBI:172461) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-carboxylate
Manual XrefsDatabases
16735791ChemSpider
Registry NumbersSources
CAS:24582-91-0ChemIDplus