| Entry |
|
|---|
| Name |
Aflatoxin B1-exo-8,9-epoxide;
2,3-Epoxyaflatoxin B1
|
|---|
| Formula |
C17H12O7
|
|---|
| Exact mass |
328.0583
|
|---|
| Mol weight |
328.27
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Network |
nt06250 DNA adduct formation (cancer) |
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK10 Aflatoxins and related substances
C19586 Aflatoxin B1-exo-8,9-epoxide
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8y C 21.8011 -20.4200
2 C8y C 23.0113 -19.7242
3 C1y C 20.4741 -19.9757
4 C8y C 21.8653 -21.8232
5 C8y C 24.2157 -20.4258
6 O7x O 23.0173 -18.3270
7 C1y C 19.6439 -21.1156
8 C1y C 19.6496 -18.8299
9 C8x C 23.0113 -22.5188
10 O2x O 20.4624 -22.2499
11 C8y C 25.4317 -19.7359
12 C8y C 24.2157 -21.8232
13 C8y C 24.2332 -17.6372
14 O2x O 18.3050 -20.6714
15 C1y C 18.3109 -19.2624
16 C8y C 25.4374 -18.3387
17 C1x C 26.7530 -20.1745
18 O2a O 25.4317 -22.5188
19 O6a O 24.2215 -16.2340
20 C5x C 26.7647 -17.9177
21 C1x C 27.5773 -19.0461
22 C1a C 26.6360 -21.8055
23 O5x O 27.2031 -16.5848
24 O2x O 18.6732 -17.9101
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 2
16 11 17 1
17 12 18 1
18 13 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 20 23 2
23 7 10 1
24 9 12 2
25 13 16 1
26 14 15 1
27 20 21 1
28 15 24 1 #Down
29 8 24 1 #Down
|
|---|
