| Entry |
|
|---|
| Name |
Melithiazole E;
Cystothiazole A
|
|---|
| Formula |
C20H26N2O4S2
|
|---|
| Exact mass |
422.1334
|
|---|
| Mol weight |
422.57
|
|---|
| Structure |
|
|---|
| Sequence |
0 Iso 1 Cys 2 Cys 3 Mam 4 Mtm 5 Man 6 Gly |
|---|
| Gene |
|
|---|
| Organism |
Cystobacter fuscus strain AJ-13278 |
|---|
| Type |
PKNRP |
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 41.0200 -26.0400
2 C8y C 42.4200 -26.0400
3 S2x S 43.2600 -27.1600
4 C8x C 44.5900 -26.7400
5 C8y C 44.5900 -25.3400
6 N5x N 43.2600 -24.9200
7 C8x C 40.1800 -24.9200
8 S2x S 38.8500 -25.3400
9 C8y C 38.8500 -26.7400
10 N5x N 40.1800 -27.1600
11 C1c C 37.6600 -27.4400
12 C1a C 36.4000 -26.7400
13 C2b C 45.7800 -24.6400
14 C2b C 47.0400 -25.3400
15 C1c C 48.2300 -24.6400
16 C1c C 49.4200 -25.3400
17 C1a C 37.6600 -28.9100
18 O2a O 48.2300 -23.2400
19 C2c C 50.6100 -24.6400
20 C2b C 51.8000 -25.3400
21 C1a C 47.0400 -22.5400
22 O2a O 50.6100 -23.2400
23 C1a C 49.4200 -26.7400
24 C7a C 51.8000 -26.7400
25 O7a O 52.9900 -27.4400
26 O6a O 50.6100 -27.4400
27 C1a C 51.8000 -22.5400
28 C1a C 54.2081 -26.7499
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 1 7 2
8 7 8 1
9 8 9 1
10 9 10 2
11 1 10 1
12 9 11 1
13 11 12 1
14 5 13 1
15 13 14 2
16 14 15 1
17 15 16 1
18 11 17 1
19 15 18 1 #Down
20 16 19 1
21 19 20 2
22 18 21 1
23 19 22 1
24 16 23 1 #Down
25 20 24 1
26 24 25 1
27 24 26 2
28 22 27 1
29 25 28 1
|
|---|
