Entry |
|
Name |
Zinostatin (USAN/INN); Neocarzinostatin (JAN) |
Formula |
C35H35NO12
|
Exact mass |
661.2159
|
Mol weight |
661.6519
|
Structure |
|
Simcomp |
|
Source |
Streptomyces carzinostaticus [TAX: 1897]
|
Remark |
|
Efficacy |
Antineoplastic |
Comment |
natural product
|
Target |
DNA |
Other DBs |
|
KCF data |
ATOM 48
1 C1x C 25.9461 -10.7273
2 O7x O 26.4137 -9.4181
3 C7x C 25.2915 -8.6233
4 O7x O 24.1694 -9.4181
5 C1y C 24.5902 -10.7273
6 C1y C 20.1952 -12.4572
7 C2y C 20.6160 -11.1481
8 C2x C 19.4939 -10.3065
9 C1y C 18.3717 -11.1481
10 C1y C 18.7925 -12.4572
11 C0 C 23.0940 -11.8027
12 C0 C 21.8316 -11.4754
13 C0 C 23.0940 -13.8131
14 C0 C 21.8784 -13.8131
15 C1x C 20.6628 -13.8131
16 C1z C 24.4032 -12.1767
17 C1y C 24.4032 -13.5326
18 O2x O 25.5721 -12.8780
19 O6a O 25.2915 -7.1739
20 O7a O 17.0158 -10.6805
21 C7a C 17.0158 -9.2779
22 C8y C 15.7067 -8.5298
23 C8y C 15.7067 -7.1271
24 C8x C 14.4443 -6.3790
25 C8x C 13.2287 -7.1271
26 C8y C 13.2287 -8.5765
27 C8y C 14.4910 -9.2779
28 O6a O 18.2315 -8.5298
29 O1a O 16.9691 -6.3790
30 C8y C 12.0130 -9.3246
31 C8x C 12.0130 -10.7740
32 C8x C 14.4910 -10.7273
33 C8y C 13.2754 -11.4754
34 O2a O 13.2754 -12.9248
35 C1a C 10.7506 -8.6233
36 C1a C 14.5378 -13.6261
37 O2a O 17.9509 -13.6261
38 C1y C 17.9509 -15.0288
39 C1y C 16.7353 -15.7301
40 C1y C 16.7353 -17.1328
41 C1y C 17.9509 -17.8341
42 C1y C 19.1666 -17.1328
43 O2x O 19.1666 -15.7301
44 N1b N 15.5197 -15.0288
45 C1a C 14.3040 -15.7301
46 O1a O 17.9509 -19.2368
47 O1a O 15.5197 -17.8341
48 C1a C 20.3822 -17.8341
BOND 54
1 22 23 2
2 22 27 1
3 12 7 1
4 23 24 1
5 17 13 1
6 24 25 2
7 13 14 3
8 25 26 1
9 6 15 1
10 26 27 2
11 15 14 1
12 21 28 2
13 6 7 1
14 23 29 1
15 7 8 2
16 26 30 1
17 8 9 1
18 30 31 2
19 10 6 1
20 27 32 1
21 9 10 1
22 32 33 2
23 31 33 1
24 5 1 1
25 33 34 1
26 5 4 1 #Down
27 30 35 1
28 16 17 1
29 34 36 1
30 16 18 1 #Down
31 17 18 1 #Down
32 16 5 1
33 1 2 1
34 3 19 2
35 2 3 1
36 9 20 1 #Down
37 3 4 1
38 20 21 1
39 16 11 1
40 21 22 1
41 11 12 3
42 10 37 1 #Up
43 38 37 1 #Up
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
48 42 43 1
49 38 43 1
50 39 44 1 #Up
51 44 45 1
52 41 46 1 #Down
53 40 47 1 #Down
54 42 48 1 #Down
|