Entry |
|
Name |
|
Formula |
C53H93N7O13
|
Exact mass |
1035.6831
|
Mol weight |
1036.3446
|
Structure |
|
Sequence |
0 FA 1 Glu 2 Leu 3 D-Leu 4 Val 5 Asp 6 D-Leu 7 Leu |
Gene |
|
Organism |
[1] Bacillus subtilis [GN: bsu] [2] Bacillus amyloliquefaciens |
Type |
NRP |
Comment |
FA = beta-hydroxy fatty acid
|
Pathway |
map01054 | Nonribosomal peptide structures |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 73
1 C1a C 28.7240 -25.7761
2 O5a O 28.5144 -24.4302
3 C5a C 29.8916 -23.7538
4 C1c C 31.0591 -24.4302
5 C1b C 31.0591 -25.7761
6 C1c C 29.8916 -26.4456
7 C5a C 33.8551 -24.5258
8 C1c C 35.1531 -24.5190
9 C1a C 15.2026 -16.6139
10 C1c C 16.3641 -17.2835
11 C1b C 17.5255 -16.6208
12 C1b C 18.6939 -17.2904
13 C1b C 19.8555 -16.6275
14 C1b C 21.0170 -17.2972
15 C1b C 22.1853 -16.6344
16 C1b C 23.3467 -17.3041
17 C1b C 24.5015 -16.6413
18 C1b C 25.6630 -17.3110
19 C1b C 26.8313 -16.6480
20 C1c C 27.9928 -17.3177
21 C1b C 29.1543 -16.6549
22 C5a C 30.3226 -17.3246
23 N1b N 31.4842 -16.6551
24 O5a O 30.3402 -18.4450
25 O7a O 27.9692 -19.5381
26 C1c C 31.4774 -15.3089
27 C5a C 32.6318 -14.6266
28 N1b N 33.8000 -15.3038
29 C1c C 34.9681 -14.6215
30 C1b C 30.3092 -14.6384
31 C1b C 29.1410 -15.3208
32 C6a C 27.9731 -14.6503
33 C5a C 36.1363 -15.2921
34 N1b N 36.1432 -16.6380
35 O5a O 37.2976 -14.6098
36 C1b C 34.9612 -13.2758
37 C1c C 36.1227 -12.6002
38 C1a C 36.1158 -11.2474
39 C1a C 37.2907 -13.2638
40 C1c C 37.3113 -17.3018
41 C5a C 37.3327 -18.7115
42 C1b C 38.4843 -16.6346
43 C1c C 39.6475 -17.3069
44 C1a C 40.8138 -16.6397
45 O5a O 35.9703 -19.1856
46 N1b N 38.0865 -20.1504
47 C1c C 38.0891 -21.9950
48 C5a C 37.3396 -23.1594
49 N1b N 35.6998 -23.1594
50 C1c C 39.5206 -22.6765
51 C1a C 40.7553 -22.4733
52 C1a C 39.5195 -24.1143
53 N1b N 32.4770 -23.7684
54 C1b C 35.8297 -25.7489
55 O5a O 37.7481 -24.5228
56 C6a C 36.7194 -26.0247
57 O6a O 36.7181 -27.4603
58 O6a O 38.0206 -25.4795
59 N1b N 29.4071 -22.2027
60 C1c C 28.0339 -22.1961
61 C7a C 27.2209 -20.7612
62 C1b C 26.2413 -23.0994
63 O6a O 27.9662 -13.3044
64 C1a C 16.3611 -18.6295
65 O6a O 26.1300 -20.7612
66 O5a O 33.8560 -26.1636
67 O5a O 32.6250 -13.2807
68 C1a C 29.8786 -27.7918
69 C1a C 39.6447 -18.6459
70 O6a O 26.8040 -15.3311
71 C1c C 25.2630 -22.3782
72 C1a C 23.8904 -23.0845
73 C1a C 25.2506 -21.0283
BOND 73
1 37 38 1
2 20 21 1
3 37 39 1
4 11 12 1
5 34 40 1
6 21 22 1
7 40 41 1
8 40 42 1 #Down
9 22 23 1
10 42 43 1
11 12 13 1
12 43 44 1
13 22 24 2
14 41 45 2
15 2 3 2
16 41 46 1
17 20 25 1
18 46 47 1
19 13 14 1
20 47 48 1
21 23 26 1
22 48 49 1
23 7 8 1
24 47 50 1 #Up
25 26 27 1
26 50 51 1
27 14 15 1
28 50 52 1
29 8 49 1
30 27 28 1
31 7 53 1
32 3 4 1
33 8 54 1 #Up
34 28 29 1
35 48 55 2
36 15 16 1
37 54 56 1
38 26 30 1 #Up
39 56 57 2
40 4 5 1 #Down
41 56 58 1
42 4 53 1
43 30 31 1
44 3 59 1
45 16 17 1
46 31 32 1
47 60 61 1
48 61 25 1
49 60 59 1
50 9 10 1
51 60 62 1 #Up
52 17 18 1
53 29 33 1
54 5 6 1
55 32 63 2
56 33 34 1
57 10 64 1
58 18 19 1
59 61 65 2
60 33 35 2
61 7 66 2
62 10 11 1
63 27 67 2
64 29 36 1 #Up
65 6 68 1
66 19 20 1
67 36 37 1
68 43 69 1
69 6 1 1
70 32 70 1
71 62 71 1
72 71 72 1
73 71 73 1
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