EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198492 - 5-Hydroxy-2,3-dimethylcyclopent-2-enone

ChEBI IDCHEBI:198492
ChEBI Name5-Hydroxy-2,3-dimethylcyclopent-2-enone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O2
Net Charge0
Average Mass126.155
Monoisotopic Mass126.06808
SMILESCC1=C(C)C(=O)[C@@H](O)C1
InChIInChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h6,8H,3H2,1-2H3/t6-/m0/s1
InChIKeyGOTCNQYWFYTGJN-LURJTMIESA-N
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxy-2,3-dimethylcyclopent-2-enone (CHEBI:198492) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(5S)-5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
Manual XrefsDatabases
9291197ChemSpider