COMPOUND: C15774
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Entry
C15774 Compound
Name
Bleomycin A
Formula
C53H78N17O21S2R
Structure
Mol file
KCF file
DB search
Comment
Component of Bleomycin [CPD:
C15773
]
Bleomycin A1 (R = S(O)CH3)
Bleomycin A2 (R = S(CH3)2) [CPD:
C06854
]
Bleomycin A5 (R = NH(CH2)4NH2)
Bleomycin A6 (R = NH(CH2)4NH(CH2)3NH2)
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK14 Non-ribosomal peptide/polyketide hybrids
C15774 Bleomycin A
BRITE hierarchy
Other DBs
PubChem:
47205100
ChEBI:
80092
NIKKAJI:
J2.796.283A
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All DBs
KCF data
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ATOM 94
1 C1c C 29.9335 -16.7112
2 C5a C 31.1227 -16.0117
3 N1b N 32.3117 -16.7112
4 C1c C 29.9335 -18.1101
5 O1a O 28.7444 -18.8096
6 C1a C 31.1227 -18.8096
7 O5a O 31.1227 -14.6128
8 C1b C 33.5008 -16.0117
9 C1c C 21.6799 -19.3692
10 C5a C 22.8689 -18.6697
11 N1b N 23.9880 -19.3692
12 O5a O 22.8689 -17.2708
13 C1c C 25.1771 -18.6697
14 C1c C 25.1771 -16.7112
15 C1c C 26.3664 -16.0117
16 O1a O 23.9880 -16.0117
17 C5a C 27.5554 -16.7112
18 N1b N 28.7444 -16.0117
19 O5a O 27.5554 -18.1101
20 C1a C 26.3664 -14.6128
21 C1a C 26.3664 -19.3692
22 N5x N 16.8536 -15.1724
23 C8y C 16.8536 -16.5714
24 C8y C 18.0427 -17.2708
25 C8y C 19.3018 -16.5714
26 N5x N 19.3018 -15.1724
27 C8y C 18.0427 -14.4729
28 C1c C 18.0427 -13.0740
29 N1a N 15.6645 -17.2708
30 C5a C 20.4908 -17.2708
31 N1b N 19.2318 -12.3744
32 C1b C 20.4208 -13.0740
33 C1c C 21.6099 -12.3744
34 C5a C 22.7990 -13.0740
35 N1a N 21.6099 -10.9755
36 N1a N 23.9880 -12.3744
37 O5a O 22.7990 -14.4729
38 O5a O 21.6799 -16.5714
39 N1b N 20.4908 -18.6697
40 C1a C 18.0427 -18.6697
41 C1b C 16.8536 -12.3744
42 C5a C 15.6645 -13.0740
43 N1a N 14.4754 -12.3744
44 O5a O 15.6645 -14.4729
45 C1b C 34.6898 -16.7112
46 C8y C 34.6898 -18.1101
47 S2x S 33.5708 -18.9495
48 C8x C 33.9904 -20.2784
49 C8y C 35.4593 -20.2784
50 N5x N 35.8791 -18.9495
51 C1c C 21.6799 -20.7681
52 O2a O 20.4908 -21.4676
53 C1y C 19.2318 -20.8381
54 O2x O 18.0427 -20.1385
55 C1y C 16.7837 -20.8381
56 C1y C 16.7837 -22.2370
57 C1y C 18.0427 -22.9364
58 C1y C 19.2318 -22.2370
59 C1b C 15.5945 -20.1385
60 O1a O 14.4055 -20.8381
61 O1a O 15.5945 -22.9364
62 O1a O 18.0427 -24.2654
63 O2a O 20.4208 -22.9364
64 C1y C 20.4208 -24.2654
65 O2x O 19.2318 -24.9649
66 C1y C 19.2318 -26.3639
67 C1y C 20.4208 -27.0632
68 C1y C 21.6799 -26.3639
69 C1y C 21.6799 -24.9649
70 C1b C 18.0427 -27.0632
71 O1a O 20.4208 -28.4621
72 O7a O 23.0787 -27.0632
73 O1a O 22.8689 -24.2654
74 C8y C 22.8689 -21.4676
75 N5x N 22.8689 -22.8664
76 C8x C 24.1280 -23.2861
77 N4x N 24.9674 -22.1670
78 C8x C 24.1280 -21.0479
79 S2x S 35.3339 -22.6214
80 C8y C 36.1588 -21.4899
81 C8x C 36.1560 -23.7533
82 C8y C 37.4867 -23.3212
83 N5x N 37.4869 -21.9224
84 C5a C 38.6979 -24.0211
85 N1b N 39.9096 -23.3217
86 O5a O 38.6981 -25.4543
87 C7a C 24.5057 -26.3737
88 N1a N 25.6864 -27.0682
89 O6a O 24.5176 -24.9655
90 O1a O 16.8256 -26.3737
91 C1b C 41.1303 -24.0269
92 C1b C 42.3302 -23.3343
93 C1b C 43.5159 -24.0190
94 R R 44.7090 -23.3303
BOND 99
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
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