 | | COMPOUND: C15691 | |
| Entry |
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| Name |
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| Formula |
C46H64N8O14
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| Exact mass |
952.4542
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| Mol weight |
953.0456
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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,O-dimethyl. (i.e. N,O-Dimethyltyrosine, diMeTyr)
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| Other DBs |
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| KCF data |
ATOM 68
1 O5x O 24.5000 -14.7700
2 O5x O 25.9000 -14.7700
3 C5x C 26.6000 -13.5800
4 C1y C 25.9000 -12.3200
5 N1x N 24.5000 -12.3200
6 C5x C 23.8000 -13.5800
7 O5x O 26.6000 -15.9600
8 C5x C 28.0000 -15.9600
9 C1y C 28.7000 -14.7700
10 N1y N 28.0000 -13.5800
11 O5x O 25.9000 -17.2200
12 C5x C 26.6000 -18.4100
13 C1y C 28.0000 -18.4100
14 N1y N 28.7000 -17.2200
15 O6a O 24.5000 -17.2200
16 C7x C 23.8000 -18.4100
17 C1y C 24.5000 -19.6000
18 N1x N 25.9000 -19.6000
19 C1y C 21.7000 -17.4300
20 O7x O 22.4000 -18.4100
21 C1y C 22.4000 -13.5800
22 N1x N 21.7000 -14.7700
23 C5x C 20.3700 -15.1900
24 C1y C 20.3700 -17.0100
25 C1a C 22.4000 -16.0300
26 C1x C 26.6000 -11.1300
27 C1x C 28.0000 -11.1300
28 C1y C 28.7000 -12.3200
29 C1b C 21.7000 -12.3900
30 C1b C 20.3000 -12.3900
31 C8y C 19.6000 -11.1300
32 C8x C 20.3000 -9.9400
33 C8x C 19.6000 -8.6800
34 C8y C 18.2000 -8.6800
35 C8x C 17.5000 -9.9400
36 C8x C 18.2000 -11.1300
37 O1a O 17.5000 -7.4900
38 O1a O 30.1000 -12.3200
39 C1c C 30.1000 -14.7700
40 O1a O 30.8000 -15.9600
41 C1a C 30.8000 -13.5800
42 C1a C 30.1000 -17.2200
43 C1b C 28.7000 -19.6000
44 C8y C 30.1000 -19.6000
45 C8x C 30.8000 -20.8600
46 C8x C 32.2000 -20.8600
47 C8y C 32.9000 -19.6000
48 C8x C 32.2000 -18.4100
49 C8x C 30.8000 -18.4100
50 O2a O 34.3000 -19.6000
51 C1a C 35.0000 -20.7900
52 C1c C 23.8000 -20.7900
53 C1b C 22.4000 -20.7900
54 C1a C 21.7000 -21.9800
55 C1a C 24.5000 -21.9800
56 N1b N 19.1800 -17.7100
57 C5a C 17.9200 -17.0100
58 C1c C 16.7300 -17.7100
59 O5a O 17.9200 -15.6100
60 O5x O 19.2500 -14.3500
61 C1b C 15.5400 -17.0100
62 C1b C 14.2800 -17.7100
63 C5a C 13.0900 -17.0100
64 N1a N 11.9000 -17.7100
65 O5a O 13.0900 -15.6100
66 N1b N 16.7300 -19.1100
67 C4a C 15.5176 -19.8100
68 O4a O 14.3221 -19.1196
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 50 51 1
55 17 52 1
56 52 53 1
57 53 54 1
58 52 55 1
59 24 56 1
60 56 57 1
61 57 58 1
62 57 59 2
63 23 60 2
64 58 61 1
65 61 62 1
66 62 63 1
67 63 64 1
68 63 65 2
69 58 66 1
70 66 67 1
71 67 68 2
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