Entry |
|
Name |
5a,11a-Dehydrooxytetracycline
|
Formula |
C22H22N2O9
|
Exact mass |
458.1325
|
Mol weight |
458.42
|
Structure |

|
Reaction |
|
Pathway |
map01057 | Biosynthesis of type II polyketide products |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00780 | Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK07 Linear tetracyclines
C18296 5a,11a-Dehydrooxytetracycline
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 33
1 C2y C 26.0589 -16.8949
2 C2y C 26.0705 -15.4945
3 C5x C 27.2667 -17.6010
4 C5x C 24.8451 -17.5893
5 C1y C 27.2899 -14.8001
6 C1z C 24.8568 -14.7827
7 C1z C 28.4803 -16.9124
8 O5x O 27.3250 -19.0014
9 C8y C 23.6373 -16.8833
10 O5x O 24.8335 -18.9779
11 C1y C 28.4977 -15.5119
12 C8y C 23.6432 -15.4829
13 C5x C 29.6764 -17.6243
14 O1a O 28.4627 -18.3069
15 C8y C 22.4295 -17.5835
16 C1y C 29.7114 -14.8294
17 C8x C 22.4295 -14.7768
18 C2y C 30.9659 -16.9474
19 O5x O 29.6532 -19.0305
20 C8x C 21.2099 -16.8833
21 O1a O 22.4295 -18.9838
22 C2y C 30.9134 -15.5470
23 N1c N 29.7055 -13.4290
24 C8x C 21.2099 -15.4829
25 C5a C 32.1039 -17.6651
26 O1a O 32.1447 -14.8644
27 N1a N 33.3292 -16.9824
28 O5a O 32.1505 -19.0655
29 C1a C 28.4887 -12.7333
30 C1a C 30.8995 -12.7331
31 C1a C 25.2193 -13.4299
32 O1a O 24.1566 -13.5699
33 O1a O 27.2899 -13.3996
BOND 36
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 1 #Down
14 9 15 1
15 11 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 15 20 2
20 15 21 1
21 16 22 1
22 16 23 1 #Down
23 17 24 2
24 18 25 1
25 22 26 1
26 25 27 1
27 25 28 2
28 7 11 1
29 9 12 2
30 18 22 2
31 20 24 1
32 23 29 1
33 23 30 1
34 6 31 1 #Down
35 6 32 1 #Up
36 5 33 1 #Down
|