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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:43:59 UTC
Update Date2023-02-21 17:20:47 UTC
HMDB IDHMDB0031546
Secondary Accession Numbers
  • HMDB31546
Metabolite Identification
Common Name3-Methyl-2-cyclopenten-1-one
Description3-Methyl-2-cyclopenten-1-one belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. 3-Methyl-2-cyclopenten-1-one is a sweet, fatty, and fruity tasting compound. 3-Methyl-2-cyclopenten-1-one has been detected, but not quantified in, several different foods, such as green bell peppers (Capsicum annuum), orange bell peppers (Capsicum annuum), peppers (Capsicum annuum), red bell peppers (Capsicum annuum), and yellow bell peppers (Capsicum annuum). This could make 3-methyl-2-cyclopenten-1-one a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 3-Methyl-2-cyclopenten-1-one.
Structure
Thumb
Synonyms
ValueSource
1-Methyl-1-cyclopenten-3-oneHMDB
3-Methyl-2-cyclopentenoneHMDB
3-Methylcyclopent-2-en-1-oneHMDB
3-Methylcyclopent-2-enoneHMDB
FEMA 3435HMDB
Chemical FormulaC6H8O
Average Molecular Weight96.1271
Monoisotopic Molecular Weight96.057514878
IUPAC Name3-methylcyclopent-2-en-1-one
Traditional Name2-cyclopenten-1-one, 3-methyl-
CAS Registry Number2758-18-1
SMILES
CC1=CC(=O)CC1
InChI Identifier
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChI KeyCHCCBPDEADMNCI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentCyclic ketones
Alternative Parents
Substituents
  • Cyclic ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008156
KNApSAcK IDNot Available
Chemspider ID16723
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound17691
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .