Entry |
|
Name |
|
Formula |
C72H110N12O20
|
Exact mass |
1462.7959
|
Mol weight |
1463.7122
|
Structure |
|
Sequence |
0 FA 1 Glu 2 D-Orn 3 Tyr 4 D-allo-Thr 5 Glu 6 D-Ala 7 Pro 8 Gln 9 D-Tyr 10 Ile (Cyclization: 3-10) |
Gene |
|
Organism |
[1] Bacillus subtilis [GN: bsu] [2] Bacillus amyloliquefaciens |
Type |
NRP |
Pathway |
map01054 | Nonribosomal peptide structures |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 104
1 C1c C 7.7353 -11.9114
2 C1b C 8.9477 -11.2094
3 C5a C 10.1602 -11.9044
4 N1b N 11.3726 -11.2024
5 C1c C 12.5850 -11.8973
6 C5a C 13.7974 -11.1953
7 N1b N 15.0098 -11.8901
8 C1c C 16.2222 -11.1881
9 N1b N 18.6471 -11.1812
10 C1c C 19.8595 -11.8760
11 C5a C 21.0720 -11.1740
12 N1b N 22.2843 -11.8688
13 C1c C 23.4967 -11.1669
14 C5a C 24.7092 -11.8619
15 N1b N 25.9216 -11.1599
16 C1c C 27.1340 -11.8547
17 C1b C 7.7282 -13.3152
18 C1b C 8.9404 -14.0232
19 C1b C 8.9265 -15.4210
20 C1b C 10.1352 -16.1352
21 C1b C 10.1246 -17.5339
22 C1b C 11.3352 -18.2448
23 C1b C 11.3229 -19.6468
24 C1b C 12.5324 -20.3593
25 C1b C 12.5211 -21.7596
26 C1b C 13.7312 -22.4714
27 C1b C 13.7193 -23.8725
28 O5a O 10.1632 -13.3083
29 C1b C 12.5881 -13.3011
30 C1b C 13.8054 -14.0003
31 C6a C 13.7974 -15.3997
32 O6a O 12.5777 -16.0949
33 O6a O 15.0091 -16.1086
34 O5a O 13.7943 -9.7914
35 C1b C 16.2192 -9.7843
36 C1b C 17.4333 -9.0799
37 C1b C 17.4302 -7.6760
38 N1a N 18.6445 -6.9713
39 C1b C 18.6399 -12.5707
40 O5a O 21.0689 -9.7702
41 C1c C 23.4937 -9.7630
42 O1a O 24.7078 -9.0586
43 C1a C 22.2763 -8.8539
44 C5a C 27.1371 -13.2586
45 C1b C 28.3478 -11.1495
46 C1b C 28.3393 -9.7417
47 C6a C 29.5508 -9.0325
48 O6a O 29.5421 -7.6287
49 O6a O 30.7707 -9.7271
50 O5a O 25.9228 -13.9632
51 N1b N 28.3544 -13.9577
52 C1c C 28.3472 -15.2864
53 C5a C 29.5542 -16.0639
54 C1x C 30.2252 -19.6397
55 C1x C 30.6621 -18.3054
56 N1y N 29.5232 -17.4773
57 C1y C 28.3846 -18.3054
58 C1x C 28.8213 -19.6397
59 C5a C 17.4282 -11.8620
60 C1a C 15.4635 -21.1924
61 C1b C 16.6759 -20.4905
62 C1c C 17.8883 -21.1852
63 C1c C 19.1007 -20.4834
64 N1b N 20.3131 -21.1783
65 C5a C 21.5256 -20.4764
66 C1c C 22.7380 -21.1711
67 N1b N 23.9504 -20.4693
68 C5a C 25.1628 -21.1640
69 C1c C 26.3752 -20.4621
70 C1a C 17.8913 -22.5891
71 C7a C 19.0977 -19.0795
72 O7a O 20.3120 -18.3750
73 O6a O 17.8803 -18.3803
74 C1b C 22.7411 -22.5750
75 O5a O 25.1658 -22.5678
76 N1b N 26.3682 -19.0583
77 C1b C 27.5933 -21.1602
78 C1b C 27.5807 -22.5609
79 C5a C 28.7900 -23.2737
80 N1a N 28.7773 -24.6776
81 O5a O 21.4593 -19.0742
82 C8y C 19.9375 -17.0093
83 C8x C 20.9328 -16.0021
84 C8x C 20.5583 -14.6364
85 C8y C 19.1883 -14.2778
86 C8x C 18.1929 -15.2850
87 C8x C 18.5675 -16.6507
88 C5a C 27.2616 -18.0869
89 O1a O 6.5208 -11.2072
90 C1b C 12.4976 -24.5643
91 C1a C 11.2879 -23.8521
92 O5a O 17.4282 -13.2659
93 O5a O 24.7122 -13.2657
94 O5a O 30.7797 -15.3788
95 O5a O 30.0122 -22.5828
96 C8y C 21.5269 -23.2797
97 C8x C 20.3128 -22.5806
98 C8x C 19.0985 -23.2851
99 C8y C 19.1017 -24.6890
100 C8x C 20.3189 -25.3883
101 C8x C 21.4632 -24.6837
102 O1a O 17.8874 -25.3936
103 O5a O 27.2545 -16.8958
104 C1a C 27.2560 -15.7947
BOND 107
1 13 12 1 #Down
2 26 27 1
3 6 7 1
4 3 28 2
5 13 14 1
6 54 55 1
7 55 56 1
8 56 57 1
9 57 58 1
10 58 54 1
11 53 56 1
12 5 29 1 #Down
13 3 4 1
14 29 30 1
15 60 61 1
16 14 15 1
17 61 62 1
18 30 31 1
19 62 63 1
20 7 8 1
21 63 64 1 #Up
22 31 32 2
23 64 65 1
24 15 16 1
25 65 66 1
26 31 33 1
27 66 67 1
28 8 59 1
29 67 68 1
30 6 34 2
31 68 69 1
32 1 17 1
33 62 70 1 #Up
34 8 35 1 #Down
35 63 71 1
36 71 72 1
37 35 36 1
38 71 73 2
39 65 81 2
40 17 18 1
41 66 74 1 #Down
42 36 37 1
43 68 75 2
44 59 9 1
45 69 76 1
46 37 38 1
47 69 77 1 #Up
48 18 19 1
49 77 78 1
50 10 39 1 #Down
51 78 79 1
52 4 5 1
53 79 80 1
54 11 40 2
55 19 20 1
56 72 82 1
57 13 41 1
58 9 10 1
59 41 42 1 #Up
60 20 21 1
61 41 43 1
62 82 83 2
63 83 84 1
64 84 85 2
65 85 86 1
66 86 87 2
67 87 82 1
68 39 85 1
69 2 3 1
70 88 57 1
71 88 76 1
72 16 44 1
73 1 89 1 #Up
74 21 22 1
75 27 90 1
76 16 45 1 #Up
77 90 91 1
78 10 11 1
79 59 92 2
80 45 46 1
81 14 93 2
82 22 23 1
83 53 94 2
84 46 47 1
85 79 95 2
86 5 6 1
87 47 48 1
88 23 24 1
89 47 49 2
90 11 12 1
91 44 50 2
92 96 97 2
93 97 98 1
94 98 99 2
95 99 100 1
96 100 101 2
97 101 96 1
98 24 25 1
99 99 102 1
100 74 96 1
101 44 51 1
102 1 2 1
103 51 52 1
104 25 26 1
105 88 103 2
106 53 52 1
107 52 104 1 #Up
|