| Entry |
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| Name |
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| Formula |
C45H61ClN8O14
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| Exact mass |
972.3996
|
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| Mol weight |
973.464
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| Structure |
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| Sequence |
0 Gln 1 Thr 2 Hty 3 Ahp 4 Thr 5 Tyr 6 Ile
(Cyclization: 1-6) |
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| Gene |
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| Organism |
Anabaena circinalis 90 |
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| Type |
NRP |
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| Comment |
0 Gln is modified by formyl. (i.e. Formylglutamine)
5 Tyr is modified by N-methyl-3'-chloro. (i.e. N-Methyl-3'-chlorothyrosine, Me(Cl)Tyr)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 68
1 O5x O 34.4400 -21.4900
2 O5x O 35.8400 -21.4900
3 C5x C 36.5400 -20.3000
4 C1y C 35.8400 -19.0400
5 N1x N 34.4400 -19.0400
6 C5x C 33.7400 -20.3000
7 O5x O 36.5400 -22.6100
8 C5x C 37.9400 -22.6100
9 C1y C 38.6400 -21.4900
10 N1y N 37.9400 -20.3000
11 O5x O 35.8400 -23.8700
12 C5x C 36.5400 -25.0600
13 C1y C 37.9400 -25.0600
14 N1y N 38.6400 -23.8700
15 O6a O 34.4400 -23.8700
16 C7x C 33.7400 -25.0600
17 C1y C 34.4400 -26.2500
18 N1x N 35.8400 -26.2500
19 C1y C 31.6400 -24.0800
20 O7x O 32.3400 -25.0600
21 C1y C 32.3400 -20.3000
22 N1x N 31.6400 -21.4900
23 C5x C 30.3100 -21.8400
24 C1y C 30.3100 -23.6600
25 C1a C 32.3400 -22.6800
26 C1x C 36.5400 -17.8500
27 C1x C 37.9400 -17.8500
28 C1y C 38.6400 -19.0400
29 C1b C 31.6400 -19.1100
30 C1b C 30.2400 -19.1100
31 C8y C 29.5400 -17.8500
32 C8x C 30.2400 -16.6600
33 C8x C 29.5400 -15.4000
34 C8y C 28.1400 -15.4000
35 C8x C 27.4400 -16.6600
36 C8x C 28.1400 -17.8500
37 O1a O 27.4400 -14.2100
38 O1a O 40.0400 -19.0400
39 C1c C 40.0400 -21.4900
40 O1a O 40.7400 -22.6100
41 C1a C 40.7400 -20.3000
42 C1a C 40.0400 -23.8700
43 C1b C 38.6400 -26.2500
44 C8y C 40.0400 -26.2500
45 C8x C 40.7400 -27.5100
46 C8y C 42.1400 -27.5100
47 C8y C 42.8400 -26.2500
48 C8x C 42.1400 -25.0600
49 C8x C 40.7400 -25.0600
50 O1a O 44.2400 -26.2500
51 C1c C 33.7400 -27.4400
52 C1b C 32.3400 -27.4400
53 C1a C 31.6400 -28.6300
54 C1a C 34.4400 -28.6300
55 N1b N 29.1200 -24.3600
56 C5a C 27.8600 -23.6600
57 C1c C 26.6700 -24.3600
58 O5a O 27.8600 -22.2600
59 O5x O 29.1900 -21.0700
60 C1b C 25.4800 -23.6600
61 C1b C 24.2900 -24.3600
62 C5a C 23.1000 -23.6600
63 N1a N 21.9100 -24.3600
64 O5a O 23.1000 -22.2600
65 N1b N 26.6700 -25.7600
66 C4a C 25.4800 -26.4600
67 O4a O 24.2900 -25.7600
68 X Cl 42.8500 -28.7166
BOND 71
1 2 3 2
2 3 4 1
3 4 5 1
4 5 6 1
5 1 6 2
6 7 8 2
7 8 9 1
8 10 9 1
9 3 10 1
10 11 12 2
11 12 13 1
12 13 14 1
13 8 14 1
14 15 16 2
15 16 17 1
16 17 18 1
17 12 18 1
18 19 20 1
19 16 20 1
20 6 21 1
21 21 22 1
22 23 22 1
23 24 19 1
24 23 24 1
25 19 25 1
26 4 26 1
27 26 27 1
28 27 28 1
29 28 10 1
30 21 29 1
31 29 30 1
32 30 31 1
33 31 32 2
34 32 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 31 36 1
39 34 37 1
40 28 38 1
41 9 39 1
42 39 40 1
43 39 41 1
44 14 42 1
45 13 43 1
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 47 48 1
51 48 49 2
52 44 49 1
53 47 50 1
54 17 51 1
55 51 52 1
56 52 53 1
57 51 54 1
58 24 55 1
59 55 56 1
60 56 57 1
61 56 58 2
62 23 59 2
63 57 60 1
64 60 61 1
65 61 62 1
66 62 63 1
67 62 64 2
68 57 65 1
69 65 66 1
70 66 67 2
71 46 68 1
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