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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2013-02-26 19:01:01 UTC
Update Date2023-02-21 17:29:17 UTC
HMDB IDHMDB0059734
Secondary Accession Numbers
  • HMDB0060645
  • HMDB59734
  • HMDB60645
Metabolite Identification
Common NamePyrazin-2-carboxylic acid
DescriptionPyrazin-2-carboxylic acid, also known as pyrazinoic acid or pyrazinoate, belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups. Pyrazin-2-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Pyrazin-2-carboxylic acid exists in all living organisms, ranging from bacteria to humans. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid group.
Structure
Thumb
Synonyms
ValueSource
2-CarboxypyrazineChEBI
2-Pyrazinecarboxylic acidChEBI
Paradiazinecarboxylic acidChEBI
Pyrazinecarboxylic acidChEBI
Pyrazinemonocarboxylic acidChEBI
Pyrazinic acidChEBI
Pyrazinoic acidChEBI
2-PyrazinecarboxylateGenerator
ParadiazinecarboxylateGenerator
PyrazinecarboxylateGenerator
PyrazinemonocarboxylateGenerator
PyrazinateGenerator
PyrazinoateGenerator
Pyrazin-2-carboxylateGenerator
Pyrazine-2-carboxylic acidMeSH
Pyrazine-2-carboxylateGenerator
Chemical FormulaC5H4N2O2
Average Molecular Weight124.0975
Monoisotopic Molecular Weight124.027277382
IUPAC Namepyrazine-2-carboxylic acid
Traditional Namepyrazinoic acid
CAS Registry NumberNot Available
SMILES
OC(=O)C1=CN=CC=N1
InChI Identifier
InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChI KeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazine carboxylic acids
Alternative Parents
Substituents
  • Pyrazine carboxylic acid
  • Heteroaromatic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID1018
KEGG Compound IDC19915
BioCyc IDPYRAZINOIC-ACID
BiGG IDNot Available
Wikipedia LinkPyrazinoic_acid
METLIN IDNot Available
PubChem Compound1047
PDB IDNot Available
ChEBI ID71311
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