Entry |
|
Name |
Peplomycin (INN); PEP |
Formula |
C61H88N18O21S2
|
Exact mass |
1472.5813
|
Mol weight |
1473.59
|
Structure |

|
Simcomp |
|
Source |
Streptomyces verticillus [TAX: 29309]
|
Remark |
|
Efficacy |
Antibiotic, Antineoplastic |
Comment |
Natural product
DNA synthesis inhibitor
|
Target |
DNA |
Structure map |
map07042 | Antineoplastics - agents from natural products |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 102
1 C1c C 29.7147 -18.1498
2 C5a C 30.9063 -17.4488
3 N1b N 32.0979 -18.1498
4 C1c C 29.7147 -19.5516
5 O1a O 28.5232 -20.2525
6 C1a C 30.9063 -20.2525
7 O5a O 30.9063 -16.0470
8 C1b C 33.2894 -17.4488
9 C1c C 21.5139 -20.8133
10 C5a C 22.7055 -20.1124
11 N1b N 23.8270 -20.8133
12 O5a O 22.7055 -18.7105
13 C1c C 25.0185 -20.1124
14 C1c C 25.0185 -18.1498
15 C1c C 26.2101 -17.4488
16 O1a O 23.8270 -17.4488
17 C5a C 27.4017 -18.1498
18 N1b N 28.5232 -17.4488
19 O5a O 27.4017 -19.5516
20 C1a C 26.2101 -16.0470
21 C1a C 26.2101 -20.8133
22 N5x N 16.6776 -16.6077
23 C8y C 16.6776 -18.0096
24 C8y C 17.8691 -18.7105
25 C8y C 19.1308 -18.0096
26 N5x N 19.1308 -16.6077
27 C8y C 17.8691 -15.9068
28 C1c C 17.8691 -14.5050
29 N1a N 15.4860 -18.7105
30 C5a C 20.3224 -18.7105
31 N1b N 19.0607 -13.8040
32 C1b C 20.2523 -14.5050
33 C1c C 21.4438 -13.8040
34 C5a C 22.6354 -14.5050
35 N1a N 21.4438 -12.4022
36 N1a N 23.8270 -13.8040
37 O5a O 22.6354 -15.9068
38 O5a O 21.5139 -18.0096
39 N1b N 20.3224 -20.1124
40 C1a C 17.8691 -20.1124
41 C1b C 16.6776 -13.8040
42 C5a C 15.4860 -14.5050
43 N1a N 14.2944 -13.8040
44 O5a O 15.4860 -15.9068
45 C1b C 34.4810 -18.1498
46 C8y C 34.4810 -19.5516
47 S2x S 33.3595 -20.3927
48 C8x C 33.7801 -21.7245
49 C8y C 35.2520 -21.7245
50 N5x N 35.6726 -20.3927
51 C1c C 21.5139 -22.2151
52 O2a O 20.3224 -22.9161
53 C1y C 19.0607 -22.2852
54 O2x O 17.8691 -21.5843
55 C1y C 16.6075 -22.2852
56 C1y C 16.6075 -23.6871
57 C1y C 17.8691 -24.3880
58 C1y C 19.0607 -23.6871
59 C1b C 15.4159 -21.5843
60 O1a O 14.2243 -22.2852
61 O1a O 15.4159 -24.3880
62 O1a O 17.8691 -25.7197
63 O2a O 20.2523 -24.3880
64 C1y C 20.2523 -25.7197
65 O2x O 19.0607 -26.3506
66 C1y C 19.0607 -27.7524
67 C1y C 20.2523 -28.4533
68 C1y C 21.5139 -27.7524
69 C1y C 21.5139 -26.3506
70 C1b C 17.8691 -28.4533
71 O1a O 20.2523 -29.8552
72 O7a O 22.9158 -28.4533
73 O1a O 22.7055 -25.7197
74 C8y C 22.7055 -22.9161
75 N5x N 22.7055 -24.3179
76 C8x C 23.9672 -24.7385
77 N4x N 24.8083 -23.6170
78 C8x C 23.9672 -22.4955
79 S2x S 35.1819 -24.0375
80 C8y C 35.9530 -22.9161
81 C8x C 35.9530 -25.1590
82 C8y C 37.2847 -24.7385
83 N5x N 37.2847 -23.3366
84 C5a C 38.5464 -25.4394
85 N1b N 39.7379 -24.7385
86 O5a O 38.5464 -26.8412
87 C7a C 24.3176 -27.8225
88 N1a N 25.5092 -28.5234
89 O6a O 24.3176 -26.4207
90 O1a O 16.6075 -27.8225
91 C1b C 39.7379 -23.3366
92 C1b C 40.9295 -22.6357
93 C1b C 40.9295 -21.2338
94 N1b N 39.7379 -20.5329
95 C1c C 39.7379 -19.1311
96 C8y C 38.5464 -18.4301
97 C1a C 40.9295 -18.4301
98 C8x C 38.5464 -17.0283
99 C8x C 37.2847 -16.3274
100 C8x C 36.0931 -17.0283
101 C8x C 36.0931 -18.4301
102 C8x C 37.2847 -19.1311
BOND 108
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1 #Up
5 4 6 1
6 2 7 2
7 3 8 1
8 9 10 1
9 10 11 1
10 10 12 2
11 11 13 1
12 13 14 1
13 14 15 1
14 14 16 1 #Up
15 15 17 1
16 17 18 1
17 17 19 2
18 15 20 1 #Down
19 13 21 1 #Up
20 22 23 2
21 23 24 1
22 24 25 2
23 25 26 1
24 26 27 2
25 22 27 1
26 27 28 1
27 23 29 1
28 25 30 1
29 28 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 33 35 1 #Down
34 34 36 1
35 34 37 2
36 30 38 2
37 30 39 1
38 24 40 1
39 41 42 1
40 28 41 1 #Down
41 42 43 1
42 42 44 2
43 9 39 1 #Down
44 1 18 1 #Down
45 8 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 48 49 2
50 49 50 1
51 46 50 2
52 9 51 1
53 53 52 1 #Up
54 53 54 1
55 54 55 1
56 55 56 1
57 56 57 1
58 57 58 1
59 53 58 1
60 55 59 1 #Down
61 59 60 1
62 56 61 1 #Down
63 57 62 1 #Up
64 58 63 1 #Up
65 64 63 1 #Down
66 64 65 1
67 65 66 1
68 66 67 1
69 67 68 1
70 68 69 1
71 64 69 1
72 66 70 1 #Up
73 67 71 1 #Down
74 68 72 1 #Up
75 69 73 1 #Up
76 51 74 1
77 74 75 1
78 75 76 2
79 76 77 1
80 77 78 1
81 74 78 2
82 51 52 1 #Down
83 79 80 1
84 49 80 1
85 79 81 1
86 81 82 2
87 82 83 1
88 80 83 2
89 82 84 1
90 84 85 1
91 84 86 2
92 72 87 1
93 87 88 1
94 87 89 2
95 70 90 1
96 85 91 1
97 91 92 1
98 92 93 1
99 93 94 1
100 95 94 1 #Down
101 95 96 1
102 95 97 1
103 96 98 2
104 98 99 1
105 99 100 2
106 100 101 1
107 101 102 2
108 96 102 1
|