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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:54:03 UTC
Update Date2023-02-21 17:23:09 UTC
HMDB IDHMDB0033154
Secondary Accession Numbers
  • HMDB33154
Metabolite Identification
Common Name5,6,7,8-Tetrahydroquinoxaline
Description5,6,7,8-Tetrahydroquinoxaline belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 5,6,7,8-Tetrahydroquinoxaline is a bean, cereal, and cheese tasting compound. 5,6,7,8-Tetrahydroquinoxaline has been detected, but not quantified in, several different foods, such as breakfast cereal, cereals and cereal products, arabica coffees (Coffea arabica), cocoa beans (Theobroma cacao), and nuts. This could make 5,6,7,8-tetrahydroquinoxaline a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5,6,7,8-Tetrahydroquinoxaline.
Structure
Thumb
Synonyms
ValueSource
5,6,7,8-tetrahydro-QuinoxalineHMDB
CyclohexapyrazineHMDB
FEMA 3321HMDB
TetrahydroquinoxalineHMDB
Chemical FormulaC8H10N2
Average Molecular Weight134.1784
Monoisotopic Molecular Weight134.08439833
IUPAC Name5,6,7,8-tetrahydroquinoxaline
Traditional Name5,6,7,8-tetrahydroquinoxaline
CAS Registry Number34413-35-9
SMILES
C1CCC2=C(C1)N=CC=N2
InChI Identifier
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2
InChI KeyXCZPDOCRSYZOBI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point29 - 30 °CNot Available
Boiling Point108.00 to 111.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0The Good Scents Company Information System
LogP1.158 (est)The Good Scents Company Information System
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 IDFDB011159
KNApSAcK IDNot Available
Chemspider ID33794
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound36822
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1035871
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.. .