| Entry |
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| Name |
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| Formula |
C53H80N10O14
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| Exact mass |
1080.5855
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| Mol weight |
1081.2609
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| Structure |
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| Sequence |
0 Butyrate-Ile 1 Ser 2 Pro 3 Leu 4 Man 5 Leu 6 Gly 7 Asn
8 Tyr 9 Pro (Cyclization: 1-9) |
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| Gene |
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| Organism |
Nostoc sp. GSV224 |
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| Type |
PKNRP |
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| Comment |
2 Pro is modified by 4-methyl. (i.e. 4-Methylproline, MePro)
3 Leu is modified by acetate. (i.e. Leucylacetate, LeuAc)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 77
1 C1c C 26.2500 -19.5300
2 N1b N 26.2500 -20.9300
3 C5a C 27.4400 -21.6300
4 O5a O 28.7000 -20.9300
5 O5a O 28.7000 -19.5300
6 C5a C 27.4400 -18.8300
7 O6a O 29.8900 -18.8300
8 C7a C 29.8900 -17.4300
9 C1y C 28.7000 -16.7300
10 N1y N 27.4400 -17.4300
11 C1b C 32.3400 -17.4300
12 O7a O 31.0800 -16.7300
13 O5a O 34.7200 -18.8300
14 C5a C 34.7200 -17.4300
15 C1c C 33.5300 -16.7300
16 O5a O 35.9800 -19.5300
17 C5a C 37.1700 -18.8300
18 C1y C 37.1700 -17.4300
19 N1y N 35.9800 -16.7300
20 C1x C 38.2200 -16.5200
21 C1y C 37.6600 -15.1900
22 C1x C 36.2600 -15.3300
23 O5a O 35.9800 -20.9300
24 C5a C 37.1700 -21.6300
25 C1c C 38.3600 -20.9300
26 N1b N 38.3600 -19.5300
27 O5a O 34.7200 -23.0300
28 C5a C 35.9800 -23.7300
29 C1b C 37.1700 -23.0300
30 C5a C 33.5300 -25.1300
31 C1c C 34.7200 -25.8300
32 N1b N 35.9800 -25.1300
33 C1x C 28.3500 -15.3300
34 C1x C 27.0200 -15.1900
35 C1x C 26.3900 -16.5200
36 C1c C 27.4400 -23.0300
37 N1b N 28.7000 -23.7300
38 O5a O 33.5300 -23.7300
39 C1b C 31.0800 -25.1300
40 N1b N 32.3400 -25.8300
41 C5a C 30.4500 -23.6600
42 O5a O 31.1500 -22.4700
43 C1b C 39.5500 -21.6300
44 C1c C 40.7400 -20.9300
45 C1a C 41.9300 -21.6300
46 C1a C 40.7400 -19.5300
47 C1a C 38.3600 -14.0000
48 N1b N 33.5300 -15.3300
49 C5a C 32.3400 -14.6300
50 O5a O 31.1500 -15.3300
51 C1c C 32.3400 -13.2300
52 N1b N 31.1500 -12.5300
53 C1c C 33.5300 -12.5300
54 C1b C 34.7200 -13.2300
55 C1a C 33.5300 -11.1300
56 C5a C 29.9600 -13.2300
57 C1b C 28.7700 -12.5300
58 O5a O 29.9600 -14.6300
59 C1b C 27.5800 -13.2300
60 C1a C 26.3900 -12.5300
61 C1b C 25.0600 -18.8300
62 C8y C 23.8700 -19.5300
63 C8x C 22.6800 -18.8300
64 C8x C 21.4200 -19.5300
65 C8y C 21.4200 -20.9300
66 C8x C 22.6100 -21.6300
67 C8x C 23.8700 -20.9300
68 O1a O 20.2300 -21.6300
69 C1b C 26.2500 -23.7300
70 C5a C 26.2500 -25.1300
71 N1a N 25.0600 -25.8300
72 O5a O 27.4400 -25.8300
73 C1b C 34.7200 -27.2300
74 C1c C 35.9100 -27.9300
75 C1a C 37.1000 -27.2300
76 C1a C 35.9100 -29.3300
77 C1a C 35.9381 -12.5399
BOND 80
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 #Up
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
80 54 77 1
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