| Entry |
|
|---|
| Name |
3'-Demethylstaurosporine;
3'-Demethoxy-3'-hydroxystaurosporine
|
|---|
| Formula |
C27H24N4O3
|
|---|
| Exact mass |
452.1848
|
|---|
| Mol weight |
452.5045
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00805 | Staurosporine biosynthesis, tryptophan => staurosporine |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 34
1 C8y C 19.3810 -12.8748
2 C8y C 17.9969 -12.8748
3 C1x C 17.5816 -11.5597
4 N1x N 18.6889 -10.7984
5 C5x C 19.7963 -11.5597
6 C8y C 20.0731 -14.0513
7 C8y C 19.3810 -15.2970
8 C8y C 17.9969 -15.2970
9 C8y C 17.3048 -14.0513
10 C8y C 21.4573 -14.3974
11 C8y C 21.5958 -15.7123
12 N4y N 20.2808 -16.3352
13 N4y N 17.0971 -16.3352
14 C8y C 15.7821 -15.7123
15 C8y C 15.9206 -14.3974
16 C8x C 22.5647 -13.5668
17 C8x C 23.7412 -14.1204
18 C8x C 23.8797 -15.5047
19 C8x C 22.8415 -16.3352
20 C8x C 14.5364 -16.3352
21 C8x C 13.4290 -15.5047
22 C8x C 13.5674 -14.1204
23 C8x C 14.8132 -13.5668
24 O5x O 21.1113 -11.2137
25 C1y C 20.0731 -18.1346
26 C1x C 20.0731 -19.5189
27 C1y C 18.8965 -20.2109
28 C1y C 17.6508 -19.5189
29 C1z C 17.6508 -18.1346
30 O2x O 18.8965 -17.4425
31 O1a O 16.4743 -20.2109
32 N1b N 18.8965 -21.5951
33 C1a C 16.4743 -17.9963
34 C1a C 17.6841 -22.2951
BOND 41
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 6 10 1
12 10 11 2
13 11 12 1
14 7 12 1
15 8 13 1
16 13 14 1
17 14 15 2
18 9 15 1
19 10 16 1
20 16 17 2
21 17 18 1
22 18 19 2
23 11 19 1
24 14 20 1
25 20 21 2
26 21 22 1
27 22 23 2
28 15 23 1
29 5 24 2
30 25 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 25 30 1
36 25 12 1 #Up
37 28 31 1 #Up
38 27 32 1 #Up
39 29 33 1 #Down
40 29 13 1 #Up
41 32 34 1
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