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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:41 UTC
Update Date2023-02-21 17:17:45 UTC
HMDB IDHMDB0012246
Secondary Accession Numbers
  • HMDB12246
Metabolite Identification
Common NameKynuramine
DescriptionKynuramine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Kynuramine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make kynuramine a potential biomarker for the consumption of these foods. Kynuramine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Kynuramine.
Structure
Thumb
Synonyms
ValueSource
DiaminopropiophenoneChEBI
3-amino-1-(2-Aminophenyl)-1-propanoneHMDB
2,3 DiaminopropiophenoneMeSH, HMDB
2,3-DiaminopropiophenoneMeSH, HMDB
Chemical FormulaC9H12N2O
Average Molecular Weight164.2044
Monoisotopic Molecular Weight164.094963016
IUPAC Name3-amino-1-(2-aminophenyl)propan-1-one
Traditional Name3-amino-1-(2-aminophenyl)propan-1-one
CAS Registry Number363-36-0
SMILES
NCCC(=O)C1=C(N)C=CC=C1
InChI Identifier
InChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2
InChI KeyQLPVTIQQFGWSQQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Benzoyl
  • Aryl alkyl ketone
  • Aniline or substituted anilines
  • Monocyclic benzene moiety
  • Beta-aminoketone
  • Benzenoid
  • Vinylogous amide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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 LocationsNot Available
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 IDFDB028888
KNApSAcK IDNot Available
Chemspider ID9311
KEGG Compound IDNot Available
BioCyc IDCPD-7654
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9692
PDB IDNot Available
ChEBI ID73472
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. Matsumoto T, Suzuki O, Furuta T, Asai M, Kurokawa Y, Nimura Y, Katsumata Y, Takahashi I: A sensitive fluorometric assay for serum monoamine oxidase with kynuramine as substrate. Clin Biochem. 1985 Apr;18(2):126-9. [PubMed:4017223 ]
  2. Dial EJ, Clarke DE: Rat and human cardiac monoamine oxidase: a comparison with other tissues. Eur J Pharmacol. 1979 Oct 1;58(3):313-9. [PubMed:510362 ]