| Entry |
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| Name |
A47934;
Antibiotic A 47934
|
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| Formula |
C58H44Cl3N7O21S
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| Exact mass |
1311.1377
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| Mol weight |
1313.4283
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| Structure |
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| Sequence |
0 D-Hpg 1 D-Tyr 2 Dpg 3 D-Hpg 4 D-Hpg 5 beta-OHTyr 6 Dpg |
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| Gene |
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| Organism |
Streptomyces toyocaensis |
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| Type |
NRP |
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| Comment |
5 beta-OHTyr is beta-Hydroxytyrosine, betaHT
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| Reaction |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 90
1 C8x C 38.2334 -21.7505
2 C8x C 38.1938 -23.1231
3 C8y C 37.0645 -21.0298
4 C8x C 35.8558 -21.6819
5 C8y C 36.9853 -23.7751
6 C8y C 35.8163 -23.0545
7 O2a O 36.9457 -25.1477
8 S4a S 36.9712 -26.6227
9 O1d O 36.9284 -28.0221
10 O1d O 38.2927 -26.5809
11 O1d O 35.6455 -26.5870
12 C1y C 20.5265 -20.0228
13 O1a O 19.4938 -14.8429
14 C8y C 26.5007 -13.7228
15 C8x C 26.5078 -15.1125
16 C8y C 27.7194 -15.8052
17 C8x C 28.9153 -15.1001
18 C8y C 28.9080 -13.7104
19 C8y C 27.7050 -13.0260
20 O1a O 27.6999 -11.6363
21 O2x O 30.1075 -13.0086
22 O2x O 25.2949 -13.0317
23 C1y C 27.7287 -17.1947
24 C8y C 31.3150 -13.6965
25 C8y C 24.0937 -13.7303
26 C8x C 31.3192 -15.0797
27 C8x C 32.5265 -15.7677
28 C8y C 33.7260 -15.0659
29 C8x C 33.7181 -13.6762
30 C8y C 32.5105 -12.9883
31 C8x C 22.8919 -13.0390
32 C8x C 21.6906 -13.7374
33 C8y C 21.6950 -15.1271
34 C8y C 24.1018 -15.1196
35 C1y C 20.4937 -15.8257
36 C1x C 34.9335 -15.7537
37 C1y C 20.4914 -17.2075
38 C1y C 34.9304 -17.1410
39 C5x C 26.5297 -17.8976
40 N1x N 28.9366 -17.8814
41 N1x N 25.3216 -17.2107
42 C1y C 24.1229 -17.9136
43 C5x C 22.9148 -17.2268
44 N1x N 21.7159 -17.9296
45 C8x C 22.9055 -15.8371
46 O5x O 22.0911 -16.4827
47 C5x C 30.1355 -17.1787
48 C1y C 31.3434 -17.8654
49 N1x N 32.5423 -17.1627
50 C5x C 33.7504 -17.8495
51 O5x O 30.1962 -15.7890
52 O5x O 26.5390 -19.2871
53 C8y C 24.1322 -19.3031
54 C8x C 22.9325 -20.0025
55 C8y C 22.9418 -21.3922
56 C8y C 25.3488 -21.3760
57 C8x C 25.3395 -19.9865
58 C8y C 24.1428 -22.0730
59 N1x N 36.1389 -17.8268
60 N1x N 19.3164 -19.3339
61 C5x C 19.2909 -17.8919
62 O5x O 18.0376 -17.1785
63 C8y C 21.7550 -22.0906
64 C8y C 20.5350 -21.4096
65 C8y C 19.2855 -23.5227
66 C8x C 20.5754 -24.2037
67 C8y C 21.7753 -23.4876
68 O1a O 22.9953 -24.1686
69 O1a O 18.1556 -24.2389
70 O1a O 24.1486 -23.2434
71 X Cl 32.4989 -11.5988
72 C6a C 18.6742 -20.7619
73 O6a O 17.4720 -20.0769
74 C8x C 19.3401 -22.1054
75 O6a O 18.7017 -22.3860
76 X Cl 25.3178 -15.8034
77 C8y C 31.3527 -19.2551
78 C8x C 30.1540 -19.9579
79 C8x C 32.5609 -19.9419
80 C8y C 30.1633 -21.3474
81 C8y C 32.5701 -21.3314
82 C8x C 31.3713 -22.0343
83 O1a O 28.9645 -22.0503
84 O5x O 33.7668 -19.2390
85 C1y C 37.0079 -19.9022
86 X Cl 26.5546 -22.0665
87 C5x C 36.1233 -19.2066
88 O5x O 34.9205 -19.8829
89 N1a N 38.5552 -19.1967
90 O2x O 33.7781 -22.5936
BOND 100
1 3 4 1
2 4 6 2
3 2 5 2
4 1 3 2
5 5 6 1
6 1 2 1
7 5 7 1
8 7 8 1
9 8 9 1
10 24 26 2
11 49 50 1
12 38 50 1
13 26 27 1
14 47 51 2
15 27 28 2
16 39 52 2
17 28 29 1
18 42 53 1 #Down
19 29 30 2
20 30 24 1
21 18 19 2
22 19 14 1
23 53 54 2
24 54 55 1
25 56 57 2
26 57 53 1
27 55 58 2
28 56 58 1
29 19 20 1
30 38 59 1 #Up
31 35 13 1 #Down
32 55 63 1
33 64 12 1
34 25 31 2
35 12 60 1
36 60 61 1
37 31 32 1
38 37 61 1
39 32 33 2
40 61 62 2
41 33 45 1
42 45 34 2
43 34 25 1
44 33 35 1
45 63 64 2
46 64 74 1
47 74 65 2
48 65 66 1
49 66 67 2
50 67 63 1
51 18 21 1
52 67 68 1
53 28 36 1
54 65 69 1
55 58 70 1
56 35 37 1
57 30 71 1
58 14 22 1
59 12 72 1 #Down
60 36 38 1
61 72 73 1
62 23 39 1
63 72 75 2
64 16 23 1
65 34 76 1
66 23 40 1 #Up
67 48 77 1
68 77 78 2
69 39 41 1
70 77 79 1
71 21 24 1
72 78 80 1
73 42 41 1
74 79 81 2
75 80 82 2
76 81 82 1
77 42 43 1
78 80 83 1
79 22 25 1
80 50 84 2
81 43 44 1
82 37 44 1 #Down
83 85 3 1
84 14 15 2
85 43 46 2
86 15 16 1
87 40 47 1
88 16 17 2
89 47 48 1
90 17 18 1
91 48 49 1 #Up
92 56 86 1
93 8 10 2
94 59 87 1
95 8 11 2
96 87 88 2
97 87 85 1
98 85 89 1 #Down
99 81 90 1
100 90 6 1
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