| Entry |
|
|---|
| Name |
4-Oxo-1-(3-pyridyl)-1-butanone;
gamma-Oxo-3-pyridinebutanal;
4-Oxo-4-(pyridin-3-yl)butanal;
3-Succinoylsemialdehyde-pyridine
|
|---|
| Formula |
C9H9NO2
|
|---|
| Exact mass |
163.0633
|
|---|
| Mol weight |
163.17
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00760 | Nicotinate and nicotinamide metabolism |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map01120 | Microbial metabolism in diverse environments |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Module |
| M00811 | Nicotine degradation, pyrrolidine pathway, nicotine => succinate semialdehyde |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 12
1 N5x N 18.0638 -19.7213
2 C8x C 18.0638 -21.1200
3 C8x C 19.2751 -21.8194
4 C8x C 20.4865 -21.1200
5 C8y C 20.4865 -19.7213
6 C8x C 19.2751 -19.0220
7 C5a C 21.7228 -19.0220
8 C1b C 22.9342 -19.7213
9 C1b C 24.1454 -19.0220
10 C4a C 25.3566 -19.7213
11 O5a O 21.7290 -17.6236
12 O4a O 25.3569 -21.0956
BOND 12
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 8 9 1
10 9 10 1
11 7 11 2
12 10 12 2
|
|---|
