| Entry |
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| Name |
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| Formula |
C46H72N10O12
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| Exact mass |
956.5331
|
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| Mol weight |
957.1237
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| Structure |
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| Sequence |
0 FA 1 Asp 2 Thr 3 Arg 4 Ahp 5 Leu 6 Phe 7 Val
(Cyclization: 2-7) |
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| Organism |
Microcystis aeruginosa |
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| Type |
NRP |
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| Comment |
FA = hexanoyl
6 Phe is modified by N-methyl. (i.e. N-Methyphenylalanine, MePhe)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 68
1 C1y C 28.7700 -18.4100
2 C5x C 28.7700 -19.8100
3 N1y N 29.9824 -20.5100
4 C1y C 31.1949 -19.8100
5 C1x C 31.1949 -18.4100
6 C1x C 29.9824 -17.7100
7 N1x N 27.5576 -17.7100
8 C5x C 26.3621 -18.4004
9 C1y C 25.1747 -17.7149
10 O5x O 26.3620 -19.8097
11 N1x N 23.9835 -18.4029
12 C5x C 22.7940 -17.7162
13 C1y C 21.6039 -18.4035
14 O5x O 22.7938 -16.3102
15 N1b N 20.4138 -17.7165
16 C1y C 21.6039 -19.8098
17 O7x O 22.8359 -20.5213
18 C1a C 20.4110 -20.4986
19 C1y C 29.9824 -21.9098
20 C5x C 28.7532 -22.6197
21 O5x O 27.5492 -21.9246
22 N1y N 28.7534 -24.0099
23 C1a C 29.9784 -24.7170
24 C1y C 27.5535 -24.7030
25 C5x C 26.3640 -24.0163
26 N1x N 25.1739 -24.7036
27 O5x O 26.3637 -22.6102
28 C1y C 23.9838 -24.0166
29 C1c C 22.7940 -24.7038
30 C7x C 23.9834 -22.6103
31 O6a O 25.3644 -22.2556
32 C1b C 25.1745 -16.3102
33 C1b C 26.4060 -15.5989
34 C1b C 26.4056 -14.2101
35 N1b N 27.6062 -13.5165
36 C2c C 27.6059 -12.1102
37 N2a N 26.3740 -11.3990
38 N1a N 28.7988 -11.4212
39 O5x O 27.5576 -20.5100
40 O1a O 32.4260 -20.5210
41 C1b C 31.1780 -22.6002
42 C1c C 32.5780 -22.6002
43 C1a C 33.2750 -23.8076
44 C1a C 33.2665 -21.4072
45 C1b C 27.5536 -26.1098
46 C8y C 28.7858 -26.8214
47 C8x C 28.7855 -28.2099
48 C8x C 29.9978 -28.9102
49 C8x C 31.2104 -28.2104
50 C8x C 31.2107 -26.8219
51 C8x C 29.9984 -26.1216
52 C1a C 21.6037 -24.0167
53 C1a C 22.7941 -26.1098
54 C5a C 19.2240 -18.4037
55 C1c C 18.0338 -17.7166
56 O5a O 19.2240 -19.8098
57 N1b N 16.8440 -18.4038
58 C1b C 18.0335 -16.3103
59 C5a C 15.6538 -17.7166
60 C6a C 19.2657 -15.5985
61 O6a O 19.2657 -14.1985
62 O6a O 20.4713 -16.2944
63 C1b C 14.4640 -18.4038
64 O5a O 15.6535 -16.3103
65 C1b C 13.2738 -17.7166
66 C1b C 12.0840 -18.4038
67 C1b C 10.8938 -17.7166
68 C1a C 9.7040 -18.4038
BOND 70
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 1 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 13 16 1
17 16 17 1
18 16 18 1
19 3 19 1
20 19 20 1
21 20 21 2
22 20 22 1
23 22 23 1
24 22 24 1
25 24 25 1
26 25 26 1
27 25 27 2
28 26 28 1
29 28 29 1
30 28 30 1
31 17 30 1
32 30 31 2
33 9 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 2
39 36 38 1
40 2 39 2
41 4 40 1
42 19 41 1
43 41 42 1
44 42 43 1
45 42 44 1
46 24 45 1
47 45 46 1
48 46 47 2
49 47 48 1
50 48 49 2
51 49 50 1
52 50 51 2
53 46 51 1
54 29 52 1
55 29 53 1
56 15 54 1
57 54 55 1
58 54 56 2
59 55 57 1
60 55 58 1
61 57 59 1
62 58 60 1
63 60 61 1
64 60 62 2
65 59 63 1
66 59 64 2
67 63 65 1
68 65 66 1
69 66 67 1
70 67 68 1
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