Entry |
|
Name |
|
Formula |
C56H75N9O17
|
Exact mass |
1145.5281
|
Mol weight |
1146.2448
|
Structure |
|
Sequence |
0 Hpl 1 Thr 2 Gln 3 Thr 4 Tyr 5 Ahp 6 Thr 7 Phe 8 Ile (Cyclization: 3-8) |
Organism |
Microcystis aeruginosa TAC 95 |
Type |
NRP |
Comment |
7 Phe is modified by N-methyl. (i.e. N-Methylphenylalanine, MePhe)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 82
1 C1y C 30.0300 -28.9800
2 C5x C 30.0300 -30.3800
3 N1y N 31.2200 -31.0800
4 C1y C 32.4800 -30.3800
5 C1x C 32.4800 -28.9800
6 C1x C 31.2200 -28.2800
7 O5x O 28.8400 -31.0800
8 C1y C 31.2200 -32.4800
9 C5x C 30.0300 -33.1800
10 C1c C 32.4100 -33.1800
11 C1a C 33.6000 -32.4800
12 O1a O 32.4100 -34.5100
13 O1a O 33.6700 -31.0800
14 N1y N 30.0300 -34.5800
15 O5x O 28.8400 -32.4800
16 C1y C 28.8400 -35.2800
17 C1a C 31.2200 -35.2800
18 C5x C 27.6500 -34.5800
19 C1b C 28.8400 -36.6800
20 C8y C 30.0300 -37.3800
21 N1x N 26.4600 -35.2800
22 O5x O 27.6500 -33.1800
23 C1y C 25.2700 -34.5800
24 C7x C 25.2700 -33.1800
25 N1x N 28.8400 -28.2800
26 C5x C 27.6500 -28.9800
27 C1y C 26.4600 -28.2800
28 O5x O 27.6500 -30.3800
29 N1x N 25.2700 -28.9800
30 C1b C 26.4600 -26.8800
31 C5x C 24.0800 -28.2800
32 C1y C 22.8900 -28.9800
33 O5x O 24.0800 -26.8800
34 C1y C 22.8900 -30.3800
35 C1c C 24.0800 -35.2800
36 C1a C 22.8900 -34.5800
37 C1b C 24.0800 -36.6800
38 C1a C 22.8900 -37.3800
39 O6a O 26.4600 -32.4800
40 C8x C 30.0300 -38.7800
41 C8x C 31.2900 -39.4800
42 C8x C 32.4800 -38.7800
43 C8x C 32.4800 -37.3800
44 C8x C 31.2900 -36.6800
45 C8y C 27.6500 -26.1800
46 C8x C 28.8400 -26.8800
47 C8x C 30.1000 -26.1800
48 C8y C 30.1000 -24.7800
49 C8x C 28.9100 -24.0800
50 C8x C 27.6500 -24.7800
51 O7x O 24.0800 -31.0800
52 O1a O 31.2900 -24.0800
53 C1a C 21.7000 -31.0800
54 N1b N 21.7000 -28.2800
55 C5a C 20.5100 -28.9800
56 C1c C 19.2500 -28.2800
57 N1b N 18.0600 -28.9800
58 O5a O 20.5100 -30.3800
59 C1b C 19.2500 -26.8800
60 C1b C 18.0600 -26.1800
61 C5a C 18.0600 -24.7800
62 N1a N 16.8700 -24.0800
63 O5a O 19.2500 -24.0800
64 C5a C 16.8700 -28.2800
65 C1c C 15.6800 -28.9800
66 N1b N 14.4900 -28.2800
67 C5a C 13.3000 -28.9800
68 O5a O 16.8700 -26.8800
69 C1c C 15.6800 -30.3800
70 O1a O 14.4900 -31.0800
71 C1a C 16.8700 -31.0800
72 C1c C 12.1100 -28.2800
73 O5a O 13.3000 -30.3800
74 C1b C 10.9200 -28.9800
75 O1a O 12.1100 -26.8800
76 C8y C 9.7300 -28.2800
77 C8x C 8.5400 -28.9800
78 C8x C 7.2800 -28.2800
79 C8y C 7.2800 -26.8800
80 C8x C 8.4700 -26.1800
81 C8x C 9.7300 -26.8800
82 O1a O 6.0900 -26.1800
BOND 86
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 2
8 3 8 1
9 8 9 1
10 8 10 1
11 10 11 1
12 10 12 1 #Up
13 4 13 1 #Up
14 9 14 1
15 9 15 2
16 14 16 1
17 14 17 1
18 16 18 1
19 16 19 1 #Up
20 19 20 1
21 18 21 1
22 18 22 2
23 21 23 1
24 23 24 1
25 1 25 1
26 25 26 1
27 26 27 1
28 26 28 2
29 27 29 1
30 27 30 1 #Up
31 29 31 1
32 31 32 1
33 31 33 2
34 32 34 1
35 23 35 1
36 35 36 1 #Down
37 35 37 1
38 37 38 1
39 24 39 2
40 20 40 2
41 40 41 1
42 41 42 2
43 42 43 1
44 43 44 2
45 20 44 1
46 30 45 1
47 45 46 2
48 46 47 1
49 47 48 2
50 48 49 1
51 49 50 2
52 45 50 1
53 34 51 1
54 48 52 1
55 51 24 1
56 34 53 1 #Down
57 32 54 1 #Down
58 54 55 1
59 55 56 1
60 56 57 1
61 55 58 2
62 56 59 1 #Up
63 59 60 1
64 60 61 1
65 61 62 1
66 61 63 2
67 57 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 64 68 2
72 65 69 1
73 69 70 1 #Up
74 69 71 1
75 67 72 1
76 67 73 2
77 72 74 1
78 72 75 1 #Up
79 74 76 1
80 76 77 2
81 77 78 1
82 78 79 2
83 79 80 1
84 80 81 2
85 76 81 1
86 79 82 1
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