Entry |
|
Name |
|
Formula |
C52H78N10O14
|
Exact mass |
1066.5699
|
Mol weight |
1067.2343
|
Structure |
|
Sequence |
0 Butyrate-Val 1 Ser 2 Pro 3 Leu 4 Man 5 Leu 6 Gly 7 Asn 8 Tyr 9 Pro (Cyclization: 1-9) |
Gene |
|
Organism |
Nostoc sp. GSV224 |
Type |
PKNRP |
Comment |
2 Pro is modified by 4-methyl. (i.e. 4-Methylproline, MePro)
3 Leu is modified by acetate. (i.e. Leucylacetate, LeuAc)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 76
1 C1c C 23.0300 -22.1900
2 N1b N 23.0300 -23.5900
3 C5a C 24.2200 -24.2900
4 O5a O 25.4800 -23.5900
5 O5a O 25.4800 -22.1900
6 C5a C 24.2200 -21.4900
7 O6a O 26.6700 -21.4900
8 C7a C 26.6700 -20.0900
9 C1y C 25.4800 -19.3900
10 N1y N 24.2200 -20.0900
11 C1b C 29.1200 -20.0900
12 O7a O 27.8600 -19.3900
13 O5a O 31.5000 -21.4900
14 C5a C 31.5000 -20.0900
15 C1c C 30.3100 -19.3900
16 O5a O 32.6900 -22.1900
17 C5a C 33.8800 -21.4900
18 C1y C 33.8800 -20.0900
19 N1y N 32.6900 -19.3900
20 C1x C 34.9300 -19.1800
21 C1y C 34.3700 -17.8500
22 C1x C 32.9700 -17.9900
23 O5a O 32.6900 -23.5900
24 C5a C 33.8800 -24.2900
25 C1c C 35.0700 -23.5900
26 N1b N 35.0700 -22.1900
27 O5a O 31.5000 -25.6900
28 C5a C 32.6900 -26.3900
29 C1b C 33.8800 -25.6900
30 C5a C 30.3100 -27.7900
31 C1c C 31.5000 -28.4900
32 N1b N 32.6900 -27.7900
33 C1x C 25.1300 -17.9900
34 C1x C 23.8000 -17.8500
35 C1x C 23.1700 -19.1800
36 C1c C 24.2200 -25.6900
37 N1b N 25.4800 -26.3900
38 O5a O 30.3100 -26.3900
39 C1b C 27.8600 -27.7900
40 N1b N 29.1200 -28.4900
41 C5a C 27.2300 -26.3200
42 O5a O 27.9300 -25.1300
43 C1b C 36.2600 -24.2900
44 C1c C 37.4500 -23.5900
45 C1a C 38.6400 -24.2900
46 C1a C 37.4500 -22.1900
47 C1a C 35.0700 -16.6600
48 N1b N 30.3100 -17.9900
49 C5a C 29.1200 -17.2900
50 O5a O 27.9300 -17.9900
51 C1c C 29.1200 -15.8900
52 N1b N 27.9300 -15.1900
53 C1c C 30.3100 -15.1900
54 C1a C 31.5000 -15.8900
55 C1a C 30.3100 -13.8600
56 C5a C 26.7400 -15.8900
57 C1b C 25.5500 -15.1900
58 O5a O 26.7400 -17.2900
59 C1b C 24.3600 -15.8900
60 C1a C 23.1700 -15.1900
61 C1b C 21.8400 -21.4900
62 C8y C 20.6500 -22.1900
63 C8x C 19.4600 -21.4900
64 C8x C 18.2000 -22.1900
65 C8y C 18.2000 -23.5900
66 C8x C 19.3900 -24.2900
67 C8x C 20.6500 -23.5900
68 O1a O 17.0100 -24.2900
69 C1b C 23.0300 -26.3900
70 C5a C 23.0300 -27.7900
71 N1a N 21.8400 -28.4900
72 O5a O 24.2200 -28.4900
73 C1b C 31.5000 -29.8900
74 C1c C 32.6200 -30.5900
75 C1a C 33.8100 -29.8900
76 C1a C 32.6200 -31.9900
BOND 79
1 1 2 1
2 2 3 1
3 3 4 2
4 5 6 2
5 1 6 1
6 7 8 2
7 8 9 1
8 9 10 1
9 6 10 1
10 11 12 1
11 8 12 1
12 13 14 2
13 14 15 1
14 11 15 1
15 16 17 2
16 17 18 1
17 18 19 1
18 14 19 1
19 18 20 1
20 20 21 1
21 21 22 1
22 19 22 1
23 23 24 2
24 24 25 1
25 25 26 1
26 17 26 1
27 27 28 2
28 28 29 1
29 24 29 1
30 30 31 1
31 31 32 1
32 28 32 1
33 9 33 1
34 33 34 1
35 34 35 1
36 10 35 1
37 3 36 1
38 36 37 1
39 30 38 2
40 39 40 1
41 30 40 1
42 37 41 1
43 41 39 1
44 41 42 2
45 25 43 1 #Up
46 43 44 1
47 44 45 1
48 44 46 1
49 21 47 1 #Up
50 15 48 1 #Down
51 48 49 1
52 49 50 2
53 51 49 1 #Up
54 51 52 1
55 51 53 1
56 53 54 1
57 53 55 1
58 52 56 1
59 56 57 1
60 56 58 2
61 57 59 1
62 59 60 1
63 1 61 1 #Up
64 61 62 1
65 62 63 2
66 63 64 1
67 64 65 2
68 65 66 1
69 66 67 2
70 62 67 1
71 65 68 1
72 36 69 1 #Up
73 69 70 1
74 70 71 1
75 70 72 2
76 31 73 1 #Up
77 73 74 1
78 74 75 1
79 74 76 1
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