 | | COMPOUND: C15743 | |
| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C40H63N9O14S
|
|---|
| Exact mass |
925.4215
|
|---|
| Mol weight |
926.0451
|
|---|
| Structure |
|
|---|
| Sequence |
0 Ga-3-O-sulfate 1 Thr 2 Arg 3 Ahp 4 Ile 5 Phe 6 Ile
(Cyclization: 1-6) |
|---|
| Organism |
Microcystis aeruginosa |
|---|
| Type |
NRP |
|---|
| Comment |
Ga = Glyceric acid
5 Phe is modified by N-methyl. (i.e. N-Methylphenylalanine, MePhe)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 64
1 C1y C 43.2600 -19.8800
2 C5x C 43.2600 -21.2100
3 N1y N 44.4500 -21.9100
4 C1y C 45.6400 -21.2100
5 C1x C 45.6400 -19.8800
6 C1x C 44.4500 -19.1800
7 N1x N 42.0000 -19.1800
8 C5x C 40.8100 -19.8100
9 C1y C 39.6900 -19.1800
10 O5x O 40.8100 -21.2100
11 N1x N 38.5000 -19.8100
12 C5x C 37.3100 -19.1800
13 C1y C 36.1200 -19.8100
14 O5x O 37.3100 -17.7800
15 N1b N 34.9300 -19.1800
16 C1y C 36.1200 -21.2100
17 O7x O 37.3100 -21.9100
18 C1a C 34.9300 -21.9100
19 C1y C 44.4500 -23.3100
20 C5x C 43.1900 -24.0100
21 O5x O 42.0000 -23.3100
22 N1y N 43.1900 -25.4100
23 C1a C 44.4500 -26.1100
24 C1y C 42.0000 -26.1100
25 C5x C 40.8100 -25.4100
26 N1x N 39.6900 -26.1100
27 O5x O 40.8100 -24.0100
28 C1y C 38.5000 -25.4100
29 C1c C 37.3100 -26.1100
30 C7x C 38.5000 -24.0100
31 O6a O 39.8300 -23.6600
32 C1b C 39.6900 -17.7800
33 C1b C 40.8800 -17.0800
34 C1b C 40.8800 -15.6800
35 N1b N 42.0700 -14.9800
36 C2c C 42.0700 -13.5800
37 N2a N 40.8800 -12.8800
38 N1a N 43.2600 -12.8800
39 O5x O 42.0000 -21.9100
40 O1a O 46.9000 -21.9100
41 C1c C 45.6400 -24.0100
42 C1b C 42.0000 -27.5100
43 C8y C 43.2600 -28.2100
44 C8x C 43.2600 -29.6100
45 C8x C 44.4500 -30.3100
46 C8x C 45.6400 -29.6100
47 C8x C 45.6400 -28.2100
48 C8x C 44.4500 -27.5100
49 C1a C 36.1200 -25.4100
50 C1b C 37.3100 -27.5100
51 C5a C 33.7400 -19.8100
52 C1c C 32.5500 -19.1800
53 O5a O 33.7400 -21.2100
54 C1b C 31.3600 -19.8100
55 O1a O 32.5500 -17.7800
56 O2a O 29.9600 -19.8100
57 S4a S 28.5600 -19.8100
58 O1d O 27.1600 -19.8100
59 O1d O 28.5600 -18.4100
60 O1d O 28.5600 -21.2100
61 C1a C 36.0976 -28.2100
62 C1b C 46.8581 -23.3199
63 C1a C 45.6286 -25.4100
64 C1a C 48.0395 -24.0150
BOND 66
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 24 42 1
44 42 43 1
45 43 44 2
46 44 45 1
47 45 46 2
48 46 47 1
49 47 48 2
50 43 48 1
51 29 49 1
52 29 50 1
53 15 51 1
54 51 52 1
55 51 53 2
56 52 54 1
57 52 55 1
58 54 56 1
59 56 57 1
60 57 58 1
61 57 59 2
62 57 60 2
63 50 61 1
64 41 62 1
65 41 63 1
66 62 64 1
|
|---|
|
» Japanese version
|
|