COMPOUND: C15775
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Entry
C15775 Compound
Name
Bleomycin B
Formula
C50H72N17O21S2R
Structure
Mol file
KCF file
DB search
Comment
Component of Bleomycin [CPD:
C15773
]
Bleomycin B1' (Bleomycinamide) (R = H)
Bleomycin B2 (R = (CH2)4NHC(NH)NH2) [CPD:
C01895
]
Bleomycin B4 (R = (CH2)4N(C(NH)NH2)(CH2)4NHC(NH)NH2)
Bleomycin B6 (R = (CH2)4NHC(NH)NH(CH2)4NHC(NH)NH(CH2)4NHC(NH)NH2)
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK14 Non-ribosomal peptide/polyketide hybrids
C15775 Bleomycin B
BRITE hierarchy
Other DBs
PubChem:
47205101
ChEBI:
80093
NIKKAJI:
J2.796.322F
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KCF data
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ATOM 91
1 C1c C 31.7370 -16.7706
2 C5a C 32.9256 -16.0714
3 N1b N 34.1140 -16.7706
4 C1c C 31.7370 -18.1687
5 O1a O 30.5485 -18.8679
6 C1a C 32.9256 -18.8679
7 O5a O 32.9256 -14.6732
8 C1b C 35.3025 -16.0714
9 C1c C 23.4876 -19.4272
10 C5a C 24.6760 -18.7281
11 N1b N 25.7945 -19.4272
12 O5a O 24.6760 -17.3299
13 C1c C 26.9830 -18.7281
14 C1c C 26.9830 -16.7706
15 C1c C 28.1717 -16.0714
16 O1a O 25.7945 -16.0714
17 C5a C 29.3601 -16.7706
18 N1b N 30.5485 -16.0714
19 O5a O 29.3601 -18.1687
20 C1a C 28.1717 -14.6732
21 C1a C 28.1717 -19.4272
22 N5x N 18.6637 -15.2325
23 C8y C 18.6637 -16.6308
24 C8y C 19.8522 -17.3299
25 C8y C 21.1107 -16.6308
26 N5x N 21.1107 -15.2325
27 C8y C 19.8522 -14.5334
28 C1c C 19.8522 -13.1352
29 N1a N 17.4752 -17.3299
30 C5a C 22.2991 -17.3299
31 N1b N 21.0407 -12.4359
32 C1b C 22.2291 -13.1352
33 C1c C 23.4176 -12.4359
34 C5a C 24.6061 -13.1352
35 N1a N 23.4176 -11.0378
36 N1a N 25.7945 -12.4359
37 O5a O 24.6061 -14.5334
38 O5a O 23.4876 -16.6308
39 N1b N 22.2991 -18.7281
40 C1a C 19.8522 -18.7281
41 C1b C 18.6637 -12.4359
42 C5a C 17.4752 -13.1352
43 N1a N 16.2867 -12.4359
44 O5a O 17.4752 -14.5334
45 C1b C 36.4909 -16.7706
46 C8y C 36.4909 -18.1687
47 S2x S 35.3725 -19.0077
48 C8x C 35.7919 -20.3360
49 C8y C 37.2600 -20.3360
50 N5x N 37.6796 -19.0077
51 C1c C 23.4876 -20.8254
52 O2a O 22.2991 -21.5245
53 C1y C 21.0407 -20.8954
54 O2x O 19.8522 -20.1961
55 C1y C 18.5939 -20.8954
56 C1y C 18.5939 -22.2936
57 C1y C 19.8522 -22.9926
58 C1y C 21.0407 -22.2936
59 C1b C 17.4053 -20.1961
60 O1a O 16.2169 -20.8954
61 O1a O 17.4053 -22.9926
62 O1a O 19.8522 -24.3209
63 O2a O 22.2291 -22.9926
64 C1y C 22.2291 -24.3209
65 O2x O 21.0407 -25.0201
66 C1y C 21.0407 -26.4184
67 C1y C 22.2291 -27.1173
68 C1y C 23.4876 -26.4184
69 C1y C 23.4876 -25.0201
70 C1b C 19.8522 -27.1173
71 O1a O 22.2291 -28.5155
72 O7a O 24.8857 -27.1173
73 O1a O 24.6760 -24.3209
74 C8y C 24.6760 -21.5245
75 N5x N 24.6760 -22.9226
76 C8x C 25.9345 -23.3421
77 N4x N 26.7734 -22.2236
78 C8x C 25.9345 -21.1051
79 S2x S 37.1347 -22.6778
80 C8y C 37.9592 -21.5468
81 C8x C 37.9564 -23.8091
82 C8y C 39.2864 -23.3772
83 N5x N 39.2866 -21.9791
84 C5a C 40.4970 -24.0768
85 N1b N 41.7081 -23.3777
86 O5a O 40.4972 -25.5092
87 C7a C 26.3120 -26.4282
88 N1a N 27.4921 -27.1223
89 O6a O 26.3239 -25.0207
90 O1a O 18.6357 -26.4282
91 R R 42.9282 -24.0826
BOND 96
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
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