| Entry |
|
|---|
| Name |
N-Demethylansamitocin P-3;
N-Demethyl-AP-3;
PND-3
|
|---|
| Formula |
C31H41ClN2O9
|
|---|
| Exact mass |
620.2501
|
|---|
| Mol weight |
621.1182
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
2.1.1.- 2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK05 Ansamycins and related polyketides
C20138 N-Demethylansamitocin P-3
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 43
1 C8y C 13.8205 -16.0512
2 C8x C 13.8205 -17.4446
3 C8y C 15.0051 -18.1413
4 C8x C 16.2592 -17.4446
5 C8y C 16.2592 -16.0512
6 C8y C 15.0051 -15.3543
7 C1y C 23.5057 -17.4446
8 C1x C 22.2516 -18.1413
9 C1z C 22.2516 -19.5349
10 C1y C 21.0670 -20.2317
11 C2x C 19.8129 -19.5349
12 C2x C 18.6282 -20.2317
13 C2x C 17.4438 -19.5349
14 C2y C 16.1897 -20.2317
15 O2a O 21.0670 -21.6253
16 C1x C 15.0051 -19.5349
17 C1a C 16.1897 -21.6253
18 C1y C 23.5057 -16.0512
19 N1x N 17.2347 -14.8666
20 C5x C 18.6282 -14.8666
21 C1x C 19.3251 -13.6123
22 C1y C 20.7188 -13.6123
23 C1z C 21.4155 -14.7968
24 C1y C 22.8089 -14.7968
25 O5x O 19.3251 -16.0512
26 O7a O 21.4155 -12.4278
27 C1a C 20.7188 -15.9813
28 C1a C 24.8295 -15.7026
29 O2a O 12.6109 -15.3592
30 X Cl 14.9880 -13.9608
31 C1a C 19.8573 -22.3171
32 C1a C 11.3733 -16.0800
33 N1x N 23.4636 -20.2347
34 C7x C 24.6758 -19.5349
35 O7x O 24.6758 -18.1413
36 O6a O 25.9040 -20.2443
37 O1a O 22.2516 -20.9346
38 C7a C 22.8237 -12.4390
39 C1c C 23.5236 -11.2490
40 O6a O 23.5240 -13.6745
41 C1a C 24.9243 -11.2603
42 C1a C 22.8430 -10.0482
43 O2x O 22.1155 -13.5844
BOND 46
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 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 10 15 1 #Down
15 14 16 1
16 16 3 1
17 14 17 1
18 7 18 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 18 1
25 20 25 2
26 22 26 1 #Down
27 23 27 1 #Up
28 18 28 1 #Down
29 5 19 1
30 1 29 1
31 6 30 1
32 15 31 1
33 29 32 1
34 9 33 1
35 33 34 1
36 34 35 1
37 7 35 1
38 34 36 2
39 9 37 1 #Down
40 26 38 1
41 38 39 1
42 38 40 2
43 39 41 1
44 39 42 1
45 23 43 1
46 43 24 1
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