| Entry |
|
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| Name |
|
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| Formula |
C66H87N13O13
|
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| Exact mass |
1269.6546
|
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| Mol weight |
1270.47
|
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| Structure |
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| Sequence |
0 D-Phe 1 Pro 2 Phe 3 D-Phe 4 Asn 5 Gln 6 Tyr 7 Val 8 Orn
9 Leu (Cyclization: 0-9) |
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| Gene |
|
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| Organism |
Brevibacillus parabrevis |
|---|
| Type |
NRP |
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| Pathway |
| map01054 | Nonribosomal peptide structures |
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 92
1 C5a C 27.3948 -21.8777
2 N1b N 25.9882 -21.9398
3 C1c C 25.2806 -23.0796
4 C5a C 23.8085 -23.0732
5 O5a O 28.1016 -20.6672
6 C1a C 18.1375 -16.7656
7 C1c C 19.5392 -16.7656
8 C1a C 20.2400 -15.5519
9 C1c C 21.6417 -17.9796
10 C5a C 22.3425 -16.7656
11 N1b N 22.3284 -15.4970
12 C1c C 23.5351 -14.6439
13 C1b C 23.5210 -13.2422
14 C5a C 24.7559 -15.3325
15 O5a O 24.7701 -16.7342
16 C5a C 28.0674 -15.8246
17 N1b N 29.4691 -15.8186
18 C1c C 30.1649 -14.6017
19 C5a C 31.5666 -14.5958
20 O5a O 32.2624 -13.3790
21 N1b N 32.2725 -15.8068
22 C1c C 33.6741 -15.8008
23 C5a C 34.3801 -17.0118
24 O5a O 35.7818 -17.0060
25 N1b N 33.6846 -18.2286
26 C1c C 34.3905 -19.4395
27 C1b C 35.7858 -19.4346
28 C5a C 36.4909 -20.6460
29 O5a O 37.8926 -20.6409
30 N1a N 35.7945 -21.8623
31 C5a C 33.6944 -20.6562
32 N1b N 32.2927 -20.6616
33 O5a O 34.3999 -21.8672
34 C1c C 31.5966 -21.8781
35 C5a C 30.1950 -21.8837
36 C1b C 32.3021 -23.0894
37 C1b C 33.7038 -23.0838
38 C5a C 34.4093 -24.2951
39 O5a O 35.8110 -24.2895
40 N1b N 29.4988 -23.1002
41 C1c C 28.0908 -23.0944
42 C8y C 22.3002 -12.5538
43 C1b C 29.4590 -13.3909
44 C8y C 29.4500 -11.9871
45 C1b C 34.3699 -14.5839
46 C8y C 34.3558 -13.1765
47 O5a O 29.4894 -20.6725
48 C1a C 25.2680 -25.5075
49 O5a O 22.9623 -24.1439
50 N1b N 22.3425 -19.1867
51 C5a C 21.6486 -20.3972
52 C1c C 22.3495 -21.6078
53 N1b N 23.8212 -21.6061
54 C8x C 22.3563 -11.1523
55 C8x C 21.0654 -10.4637
56 C8x C 19.8585 -11.1766
57 C8x C 19.8727 -12.5782
58 C8x C 21.0936 -13.2669
59 C8x C 30.6610 -11.2776
60 C8x C 30.6520 -9.8740
61 C8x C 29.4319 -9.1801
62 C8x C 28.2210 -9.8896
63 C8x C 28.2299 -11.2933
64 C8x C 35.5677 -12.4605
65 C8x C 35.5536 -11.0532
66 C8x C 34.3277 -10.3616
67 C8x C 33.1157 -11.0776
68 C8x C 33.1298 -12.4850
69 C1a C 27.1045 -24.7964
70 C1b C 28.7845 -24.3050
71 C8y C 28.7775 -25.7067
72 C8x C 27.5600 -26.4013
73 C8x C 27.5529 -27.8030
74 C8y C 28.7632 -28.5100
75 C8x C 29.9808 -27.8152
76 C8x C 29.9879 -26.4136
77 C1b C 21.6501 -22.8226
78 C1b C 20.2470 -22.8113
79 C1b C 19.5365 -24.0196
80 N1a N 18.1304 -24.0149
81 N1y N 25.9679 -14.6146
82 C1y C 27.3615 -14.6137
83 C1x C 27.7914 -13.2877
84 C1x C 26.6633 -12.4695
85 C1x C 25.5363 -13.2893
86 C1b C 20.2400 -17.9692
87 C1c C 25.9742 -24.2838
88 O5a O 23.6982 -17.1218
89 O5a O 20.2470 -20.3903
90 O1a O 28.7563 -29.9117
91 N1a N 33.7132 -25.5116
92 O5a O 27.3720 -17.0413
BOND 97
1 35 47 2
2 1 41 1
3 23 24 2
4 87 48 1
5 87 69 1
6 12 13 1 #Down
7 4 49 2
8 23 25 1
9 9 50 1
10 7 86 1
11 50 51 1
12 25 26 1
13 51 52 1
14 12 14 1
15 52 53 1
16 53 4 1
17 26 27 1 #Up
18 3 4 1
19 27 28 1
20 14 15 2
21 28 29 2
22 42 54 2
23 54 55 1
24 55 56 2
25 56 57 1
26 57 58 2
27 58 42 1
28 14 81 1
29 28 30 1
30 7 8 1
31 26 31 1
32 82 16 1
33 44 59 2
34 59 60 1
35 60 61 2
36 61 62 1
37 62 63 2
38 63 44 1
39 31 32 1
40 31 33 2
41 16 17 1
42 32 34 1
43 46 64 2
44 64 65 1
45 65 66 2
46 66 67 1
47 67 68 2
48 68 46 1
49 1 5 2
50 34 35 1
51 41 70 1 #Up
52 17 18 1
53 70 71 1
54 34 36 1 #Up
55 9 10 1
56 36 37 1
57 18 19 1
58 37 38 1
59 71 72 2
60 72 73 1
61 73 74 2
62 74 75 1
63 75 76 2
64 76 71 1
65 2 3 1
66 52 77 1 #Up
67 38 39 2
68 77 78 1
69 19 20 2
70 78 79 1
71 35 40 1
72 79 80 1
73 10 11 1
74 40 41 1
75 19 21 1
76 13 42 1
77 1 2 1
78 81 82 1
79 82 83 1
80 83 84 1
81 84 85 1
82 85 81 1
83 18 43 1 #Up
84 9 86 1 #Up
85 21 22 1
86 3 87 1 #Up
87 43 44 1
88 10 88 2
89 11 12 1
90 51 89 2
91 22 45 1 #Down
92 74 90 1
93 22 23 1
94 38 91 1
95 45 46 1
96 6 7 1
97 16 92 2
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