| Entry |
|
|---|
| Name |
5a,11a-Dehydrotetracycline;
12-Dehydrotetracycline
|
|---|
| Formula |
C22H22N2O8
|
|---|
| Exact mass |
442.1376
|
|---|
| Mol weight |
442.4187
|
|---|
| 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
C03206 5a,11a-Dehydrotetracycline
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C1y C 27.6891 -15.6789
2 C1z C 27.7081 -17.1048
3 C1x C 26.4477 -14.9722
4 C1y C 28.9178 -14.9341
5 C5x C 26.4795 -17.8178
6 C5x C 28.9687 -17.8052
7 O1a O 27.7081 -18.4155
8 C2y C 25.3018 -15.7043
9 C2y C 30.1784 -15.6343
10 N1c N 28.9178 -13.6107
11 C2y C 25.2381 -17.1176
12 O5x O 26.4859 -19.2059
13 C2y C 30.1392 -17.0794
14 O5x O 28.9957 -19.1222
15 C1z C 24.0029 -14.9976
16 O1a O 31.3625 -14.9213
17 C1a C 30.1147 -12.8459
18 C1a C 27.7146 -12.8524
19 C5x C 24.0157 -17.8115
20 C5a C 31.4197 -17.7541
21 C8y C 22.7935 -15.7106
22 C1a C 23.1301 -13.7060
23 O1a O 24.8290 -13.5661
24 C8y C 22.7935 -17.1113
25 O5x O 24.0157 -19.1994
26 O5a O 31.4325 -19.1357
27 N1a N 32.6038 -17.0411
28 C8x C 21.5776 -15.0168
29 C8y C 21.5776 -17.8178
30 C8x C 20.3807 -15.7106
31 C8x C 20.3807 -17.1113
32 O1a O 21.5712 -19.2059
BOND 35
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 1
21 15 22 1 #Down
22 15 23 1 #Up
23 19 24 1
24 19 25 2
25 20 26 2
26 20 27 1
27 21 28 1
28 24 29 1
29 28 30 2
30 29 31 2
31 29 32 1
32 8 11 2
33 9 13 2
34 21 24 2
35 30 31 1
|
|---|
