Entry |
|
Name |
|
Formula |
C55H84N17O21S3
|
Exact mass |
1414.519
|
Mol weight |
1415.5518
|
Structure |
|
Sequence |
0 Ser 1 Asn 2 Asn 3 His 4 Ala 5 Man 6 Thr 7 beta-Ala 8 Cys 9 Cys |
Gene |
|
Organism |
Streptomyces verticillus |
Type |
PKNRP |
Comment |
Component of Bleomycin A [CPD: C15774]
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK14 Non-ribosomal peptide/polyketide hybrids
C06854 Bleomycin A2
|
Other DBs |
|
KCF data |
ATOM 96
1 C1c C 29.2970 -16.7070
2 C5a C 30.4860 -16.0077
3 N1b N 31.6748 -16.7070
4 C1c C 29.2970 -18.1056
5 O1a O 28.1082 -18.8050
6 C1a C 30.4860 -18.8050
7 O5a O 30.4860 -14.6090
8 C1b C 32.8636 -16.0077
9 C1c C 21.0451 -19.3645
10 C5a C 22.2338 -18.6651
11 N1b N 23.3527 -19.3645
12 O5a O 22.2338 -17.2665
13 C1c C 24.5416 -18.6651
14 C1c C 24.5416 -16.7070
15 C1c C 25.7306 -16.0077
16 O1a O 23.3527 -16.0077
17 C5a C 26.9194 -16.7070
18 N1b N 28.1082 -16.0077
19 O5a O 26.9194 -18.1056
20 C1a C 25.7306 -14.6090
21 C1a C 25.7306 -19.3645
22 N5x N 16.2197 -15.1685
23 C8y C 16.2197 -16.5672
24 C8y C 17.4086 -17.2665
25 C8y C 18.6674 -16.5672
26 N5x N 18.6674 -15.1685
27 C8y C 17.4086 -14.4692
28 C1c C 17.4086 -13.0705
29 N1a N 15.0309 -17.2665
30 C5a C 19.8562 -17.2665
31 N1b N 18.5975 -12.3711
32 C1b C 19.7862 -13.0705
33 C1c C 20.9751 -12.3711
34 C5a C 22.1639 -13.0705
35 N1a N 20.9751 -10.9725
36 N1a N 23.3527 -12.3711
37 O5a O 22.1639 -14.4692
38 O5a O 21.0451 -16.5672
39 N1b N 19.8562 -18.6651
40 C1a C 17.4086 -18.6651
41 C1b C 16.2197 -12.3711
42 C5a C 15.0309 -13.0705
43 N1a N 13.8420 -12.3711
44 O5a O 15.0309 -14.4692
45 C1b C 34.0524 -16.7070
46 C8y C 34.0524 -18.1056
47 S2x S 32.9336 -18.9449
48 C8x C 33.3531 -20.2735
49 C8y C 34.8217 -20.2735
50 N5x N 35.2414 -18.9449
51 C1c C 21.0451 -20.7631
52 O2a O 19.8562 -21.4625
53 C1y C 18.5975 -20.8331
54 O2x O 17.4086 -20.1336
55 C1y C 16.1498 -20.8331
56 C1y C 16.1498 -22.2317
57 C1y C 17.4086 -22.9310
58 C1y C 18.5975 -22.2317
59 C1b C 14.9609 -20.1336
60 O1a O 13.7721 -20.8331
61 O1a O 14.9609 -22.9310
62 O1a O 17.4086 -24.2597
63 O2a O 19.7862 -22.9310
64 C1y C 19.7862 -24.2597
65 O2x O 18.5975 -24.9591
66 C1y C 18.5975 -26.3578
67 C1y C 19.7862 -27.0570
68 C1y C 21.0451 -26.3578
69 C1y C 21.0451 -24.9591
70 C1b C 17.4086 -27.0570
71 O1a O 19.7862 -28.4556
72 O7a O 22.4436 -27.0570
73 O1a O 22.2338 -24.2597
74 C8y C 22.2338 -21.4625
75 N5x N 22.2338 -22.8610
76 C8x C 23.4927 -23.2806
77 N4x N 24.3319 -22.1617
78 C8x C 23.4927 -21.0429
79 S2x S 34.6964 -22.6160
80 C8y C 35.5211 -21.4848
81 C8x C 35.5183 -23.7477
82 C8y C 36.8487 -23.3157
83 N5x N 36.8489 -21.9172
84 C5a C 38.0597 -24.0155
85 N1b N 39.2711 -23.3162
86 O5a O 38.0599 -25.4484
87 C7a C 23.8703 -26.3676
88 N1a N 25.0508 -27.0620
89 O6a O 23.8822 -24.9597
90 O1a O 16.1917 -26.3676
91 C1b C 40.4916 -24.0213
92 C1b C 41.6913 -23.3288
93 C1b C 42.8767 -24.0134
94 S0 S 44.0696 -23.3248 #+
95 C1a C 45.2884 -24.0288
96 C1a C 44.0694 -21.9050
BOND 101
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 94 95 1
101 94 96 1
|