Entry |
|
Name |
Pyrazinoic acid;
2-Pyrazinecarboxylic acid
|
Formula |
C5H4N2O2
|
Exact mass |
124.0273
|
Mol weight |
124.0975
|
Structure |
|
Comment |
Pyrazinamide [CPD: C01956] metabolite
|
Brite |
|
Other DBs |
|
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
|