KEGG   COMPOUND: C19915
Entry
C19915                      Compound                               
Name
Pyrazinoic acid;
2-Pyrazinecarboxylic acid
Formula
C5H4N2O2
Exact mass
124.0273
Mol weight
124.0975
Structure
Comment
Pyrazinamide [CPD:C01956] metabolite
Brite
Prodrugs [br08324.html]
 C19915
Other DBs
CAS: 98-97-5
PubChem: 135626381
ChEBI: 71311
PDB-CCD: VGL[PDBj]
KCF data

ATOM        9
            1   C8x C    16.3100  -15.8900
            2   C8x C    16.3100  -17.2900
            3   N5x N    17.5224  -17.9900
            4   C8x C    18.7349  -17.2900
            5   C8y C    18.7349  -15.8900
            6   N5x N    17.5224  -15.1900
            7   C6a C    19.9724  -15.1900
            8   O6a O    21.1849  -15.8900
            9   O6a O    19.9786  -13.7903
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 2

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