CHEBI:71311 - pyrazine-2-carboxylic acid

ChEBI IDCHEBI:71311
ChEBI Namepyrazine-2-carboxylic acid
Stars
DefinitionThe parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.
Last Modified8 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC5H4N2O2
Net Charge0
Average Mass124.099
Monoisotopic Mass124.02728
SMILESO=C(O)c1cnccn1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
pyrazine-2-carboxylic acid (CHEBI:71311) has role antitubercular agent (CHEBI:33231)
pyrazine-2-carboxylic acid (CHEBI:71311) has role drug metabolite (CHEBI:49103)
pyrazine-2-carboxylic acid (CHEBI:71311) is a pyrazinecarboxylic acid (CHEBI:48345)
pyrazine-2-carboxylic acid (CHEBI:71311) is conjugate acid of pyrazine-2-carboxylate (CHEBI:71266)
Incoming Relation(s)
pyrazine-2-carboxylate (CHEBI:71266) is conjugate base of pyrazine-2-carboxylic acid (CHEBI:71311)
IUPAC Name 
pyrazine-2-carboxylic acid
Synonyms  Source
2-Pyrazinecarboxylic acidKEGG COMPOUND
Pyrazinoic acidKEGG COMPOUND
Pyrazinic acidChemIDplus
Pyrazinemonocarboxylic acidChemIDplus
pyrazinecarboxylic acidChEBI
Paradiazinecarboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
VGLPDBeChem
C19915KEGG COMPOUND
PYRAZINOIC-ACIDMetaCyc
Pyrazinoic_acidWikipedia
Registry NumbersSources
Reaxys:112305Reaxys
CAS:98-97-5ChemIDplus
CAS:98-97-5KEGG COMPOUND
CAS:98-97-5NIST Chemistry WebBook
Citations