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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 20:11:58 UTC
Update Date2023-02-21 17:24:44 UTC
HMDB IDHMDB0035248
Secondary Accession Numbers
  • HMDB35248
Metabolite Identification
Common Name2,6-Dimethylpyrazine
Description2,6-Dimethylpyrazine, also known as fema 3273 or 2,5-DMP, 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. Alkylpyrazines are chemical compounds based on pyrazine with different substitution patterns. 2,6-Dimethylpyrazine is a cocoa, roastbeef, and roastednut tasting compound. 2,6-Dimethylpyrazine has been detected, but not quantified, in tea. This could make 2,6-dimethylpyrazine a potential biomarker for the consumption of these foods. Alkylpyrazines are also formed during the cooking of some foods via Maillard reactions. It occurs naturally in asparagus, black or green tea, crispbread, malt, raw shrimp, soya, squid, Swiss cheeses, and wheat bread. It occurs naturally in baked potato, black or green tea, crispbread, French fries, malt, peated malt, raw asparagus, roasted barley, roasted filberts or pecans, squid, wheat bread, wild rice (Zizania aquatica), and wort.
Structure
Thumb
Synonyms
ValueSource
2,6-Dimethyl-1,4-diazineHMDB
2,6-Dimethyl-pyrazineHMDB
2,6-DimethylparadiazineHMDB
2,6-DimethylpiazineHMDB
3,5-DimethylpyrazineHMDB
FEMA 3273HMDB
2,5-DimethylpyrazineHMDB
2,5-DMPHMDB
Chemical FormulaC6H8N2
Average Molecular Weight108.1411
Monoisotopic Molecular Weight108.068748266
IUPAC Name2,6-dimethylpyrazine
Traditional Namepyrazine, 2,6-dimethyl-
CAS Registry Number108-50-9
SMILES
CC1=CN=CC(C)=N1
InChI Identifier
InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChI KeyHJFZAYHYIWGLNL-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 heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point47 - 48 °CNot Available
Boiling Point154.00 to 155.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility38160 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.54Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedNewborn (0-30 days old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB004391
KNApSAcK IDC00052612
Chemspider ID7650
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAlkylpyrazine
METLIN IDNot Available
PubChem Compound7938
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1008151
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.. .