Entry |
|
Name |
|
Formula |
C50H71N16O21S2R
|
Structure |
|
Remark |
|
Comment |
Generic compound
Bleomycin A [CPD: C15774]
Bleomycin B [CPD: C15775]
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK14 Non-ribosomal peptide/polyketide hybrids
C15773 Bleomycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DC Other cytotoxic antibiotics
L01DC01 Bleomycin
D07535 Bleomycin (INN)
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Other DBs |
|
KCF data |
ATOM 90
1 C1c C 32.2981 -16.7719
2 C5a C 33.4867 -16.0727
3 N1b N 34.6752 -16.7719
4 C1c C 32.2981 -18.1702
5 O1a O 31.1095 -18.8693
6 C1a C 33.4867 -18.8693
7 O5a O 33.4867 -14.6744
8 C1b C 35.8638 -16.0727
9 C1c C 24.0481 -19.4287
10 C5a C 25.2366 -18.7295
11 N1b N 26.3552 -19.4287
12 O5a O 25.2366 -17.3312
13 C1c C 27.5438 -18.7295
14 C1c C 27.5438 -16.7719
15 C1c C 28.7325 -16.0727
16 O1a O 26.3552 -16.0727
17 C5a C 29.9210 -16.7719
18 N1b N 31.1095 -16.0727
19 O5a O 29.9210 -18.1702
20 C1a C 28.7325 -14.6744
21 C1a C 28.7325 -19.4287
22 N5x N 19.2239 -15.2338
23 C8y C 19.2239 -16.6321
24 C8y C 20.4125 -17.3312
25 C8y C 21.6710 -16.6321
26 N5x N 21.6710 -15.2338
27 C8y C 20.4125 -14.5346
28 C1c C 20.4125 -13.1363
29 N1a N 18.0354 -17.3312
30 C5a C 22.8595 -17.3312
31 N1b N 21.6011 -12.4370
32 C1b C 22.7896 -13.1363
33 C1c C 23.9781 -12.4370
34 C5a C 25.1667 -13.1363
35 N1a N 23.9781 -11.0387
36 N1a N 26.3552 -12.4370
37 O5a O 25.1667 -14.5346
38 O5a O 24.0481 -16.6321
39 N1b N 22.8595 -18.7295
40 C1a C 20.4125 -18.7295
41 C1b C 19.2239 -12.4370
42 C5a C 18.0354 -13.1363
43 N1a N 16.8468 -12.4370
44 O5a O 18.0354 -14.5346
45 C1b C 37.0523 -16.7719
46 C8y C 37.0523 -18.1702
47 S2x S 35.9337 -19.0092
48 C8x C 36.3532 -20.3375
49 C8y C 37.8214 -20.3375
50 N5x N 38.2410 -19.0092
51 C1c C 24.0481 -20.8270
52 O2a O 22.8595 -21.5262
53 C1y C 21.6011 -20.8969
54 O2x O 20.4125 -20.1977
55 C1y C 19.1541 -20.8969
56 C1y C 19.1541 -22.2952
57 C1y C 20.4125 -22.9943
58 C1y C 21.6011 -22.2952
59 C1b C 17.9654 -20.1977
60 O1a O 16.7769 -20.8969
61 O1a O 17.9654 -22.9943
62 O1a O 20.4125 -24.3227
63 O2a O 22.7896 -22.9943
64 C1y C 22.7896 -24.3227
65 O2x O 21.6011 -25.0219
66 C1y C 21.6011 -26.4203
67 C1y C 22.7896 -27.1193
68 C1y C 24.0481 -26.4203
69 C1y C 24.0481 -25.0219
70 C1b C 20.4125 -27.1193
71 O1a O 22.7896 -28.5176
72 O7a O 25.4463 -27.1193
73 O1a O 25.2366 -24.3227
74 C8y C 25.2366 -21.5262
75 N5x N 25.2366 -22.9244
76 C8x C 26.4951 -23.3439
77 N4x N 27.3341 -22.2253
78 C8x C 26.4951 -21.1067
79 S2x S 37.6961 -22.6795
80 C8y C 38.5206 -21.5485
81 C8x C 38.5178 -23.8109
82 C8y C 39.8479 -23.3790
83 N5x N 39.8481 -21.9808
84 C5a C 41.0586 -24.0785
85 R R 42.2697 -23.3795
86 O5a O 41.0588 -25.5111
87 C7a C 26.8727 -26.4301
88 N1a N 28.0528 -27.1243
89 O6a O 26.8845 -25.0225
90 O1a O 19.1959 -26.4301
BOND 95
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
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