Entry |
|
Name |
|
Formula |
C52H68N8O15
|
Exact mass |
1044.4804
|
Mol weight |
1045.1409
|
Structure |
|
Sequence |
0 Hpl 1 Gln 2 Thr 3 Tyr 4 Ahp 5 Thr 6 Phe 7 Ile (Cyclization: 2-7) |
Organism |
Microcystis aeruginosa M228 |
Type |
NRP |
Comment |
6 Phe is modified by N-methyl. (i.e. N-Methylphenylalanine, MePhe)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 75
1 C1y C 50.0500 -22.9600
2 C5x C 50.0500 -24.3600
3 N1y N 51.2400 -25.0600
4 C1y C 52.5000 -24.3600
5 C1x C 52.5000 -22.9600
6 C1x C 51.2400 -22.2600
7 O5x O 48.8600 -25.0600
8 C1y C 51.2400 -26.4600
9 C5x C 50.0500 -27.1600
10 C1c C 52.4300 -27.1600
11 C1a C 53.6200 -26.4600
12 O1a O 52.4300 -28.4900
13 O1a O 53.6900 -25.0600
14 N1y N 50.0500 -28.5600
15 O5x O 48.8600 -26.4600
16 C1y C 48.8600 -29.2600
17 C1a C 51.2400 -29.2600
18 C5x C 47.6700 -28.5600
19 C1b C 48.8600 -30.6600
20 C8y C 50.0500 -31.3600
21 N1x N 46.4800 -29.2600
22 O5x O 47.6700 -27.1600
23 C1y C 45.2900 -28.5600
24 C7x C 45.2900 -27.1600
25 N1x N 48.8600 -22.2600
26 C5x C 47.6700 -22.9600
27 C1y C 46.4800 -22.2600
28 O5x O 47.6700 -24.3600
29 N1x N 45.2900 -22.9600
30 C1b C 46.4800 -20.8600
31 C5x C 44.1000 -22.2600
32 C1y C 42.9100 -22.9600
33 O5x O 44.1000 -20.8600
34 C1y C 42.9100 -24.3600
35 C1c C 44.1000 -29.2600
36 C1a C 42.9100 -28.5600
37 C1b C 44.1000 -30.6600
38 C1a C 42.9100 -31.3600
39 O6a O 46.4800 -26.4600
40 C8x C 50.0500 -32.6900
41 C8x C 51.3100 -33.3900
42 C8x C 52.5000 -32.6900
43 C8x C 52.5000 -31.3600
44 C8x C 51.3100 -30.6600
45 C8y C 47.6700 -20.1600
46 C8x C 48.8600 -20.8600
47 C8x C 50.1200 -20.1600
48 C8y C 50.1200 -18.7600
49 C8x C 48.9300 -18.0600
50 C8x C 47.6700 -18.7600
51 O7x O 44.1000 -25.0600
52 O1a O 51.3100 -18.0600
53 C1a C 41.7200 -25.0600
54 N1b N 41.7200 -22.2600
55 C5a C 40.5300 -22.9600
56 C1c C 39.2700 -22.2600
57 N1b N 38.0800 -22.9600
58 O5a O 40.5300 -24.3600
59 C1b C 39.2700 -20.8600
60 C1b C 38.0800 -20.1600
61 C5a C 38.0800 -18.7600
62 N1a N 36.8900 -18.0600
63 O5a O 39.2700 -18.0600
64 C5a C 36.8900 -22.2600
65 C1c C 35.7000 -22.9600
66 O5a O 36.8900 -20.8600
67 C1b C 34.5100 -22.2600
68 O1a O 35.7000 -24.3600
69 C8y C 33.3200 -22.9600
70 C8x C 32.0600 -22.2600
71 C8x C 30.8700 -22.9600
72 C8y C 30.8700 -24.3600
73 C8x C 32.1300 -25.0600
74 C8x C 33.3200 -24.3600
75 O1a O 29.6800 -25.1300
BOND 79
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 64 66 2
70 65 67 1
71 65 68 1 #Down
72 67 69 1
73 69 70 2
74 70 71 1
75 71 72 2
76 72 73 1
77 73 74 2
78 69 74 1
79 72 75 1
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