| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C22H22N2O7
|
|---|
| Exact mass |
426.1427
|
|---|
| Mol weight |
426.42
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00780 | Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline |
| M00823 | Chlortetracycline biosynthesis, pretetramide => chlortetracycline |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK07 Linear tetracyclines
C02811 Anhydrotetracycline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1y C 19.6546 -14.3987
2 C1z C 19.6372 -15.7987
3 C1x C 18.4525 -13.6861
4 C1y C 20.8801 -13.7154
5 C5x C 18.4234 -16.4809
6 C5x C 20.9093 -16.5099
7 O1a O 19.2696 -16.9133
8 C8y C 17.2331 -14.3753
9 C2y C 22.0761 -14.4337
10 N1c N 20.8275 -12.3149
11 C8y C 17.2215 -15.7754
12 O5x O 18.4175 -17.8869
13 C2y C 22.0587 -15.8337
14 O5x O 20.9560 -17.9102
15 C8y C 16.0193 -13.6687
16 O1a O 23.3016 -13.7503
17 C1a C 22.0528 -11.6330
18 C1a C 19.6254 -11.5980
19 C8y C 16.0077 -16.4692
20 C5a C 23.2608 -16.5449
21 C8y C 14.8126 -14.3694
22 C1a C 16.0251 -12.3384
23 C8y C 14.8067 -15.7697
24 O1a O 16.0077 -17.8754
25 N1a N 24.4863 -15.8687
26 O5a O 23.2434 -17.9511
27 C8x C 13.5989 -13.6628
28 C8y C 13.5989 -16.4692
29 C8x C 12.3795 -14.3694
30 C8x C 12.3795 -15.7697
31 O1a O 13.6046 -17.8695
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 4 9 1
9 4 10 1 #Down
10 5 11 1
11 5 12 2
12 6 13 1
13 6 14 2
14 8 15 1
15 9 16 1
16 10 17 1
17 10 18 1
18 11 19 1
19 13 20 1
20 15 21 2
21 15 22 1
22 19 23 2
23 19 24 1
24 20 25 1
25 20 26 2
26 21 27 1
27 23 28 1
28 27 29 2
29 28 30 2
30 28 31 1
31 8 11 2
32 9 13 2
33 21 23 1
34 29 30 1
|
|---|
