Entry |
|
Name |
|
Formula |
C38H54N6O8
|
Exact mass |
722.4003
|
Mol weight |
722.8708
|
Structure |
|
Sequence |
0 FA 1 Thr 2 Leu 3 Ala 5 Ala 6 Gln (Cyclization: 1-6) |
Gene |
|
Organism |
Stigmatella aurantiaca |
Type |
NRP |
Comment |
1 Thr is modified by N-methyl. (i.e. N-Methylthreonine, MeThr)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 52
1 C5x C 17.3124 -18.2000
2 N1x N 18.5249 -17.5000
3 C1y C 18.5249 -16.1000
4 O5x O 19.7373 -18.2000
5 N1x N 20.9497 -16.1000
6 C5x C 19.7373 -15.4000
7 C1a C 22.1622 -18.2000
8 N1x N 23.3746 -17.5000
9 C5x C 23.3746 -16.1000
10 C1y C 22.1622 -15.4000
11 C5x C 19.7373 -19.6000
12 C1y C 20.9497 -20.3000
13 C1y C 22.1622 -19.6000
14 O7x O 23.3746 -20.3000
15 C7x C 24.5871 -19.6000
16 C1y C 24.5871 -18.2000
17 C1y C 17.3124 -19.6000
18 N1x N 18.5249 -20.3000
19 C1b C 25.7824 -17.5000
20 C1b C 26.9949 -18.2000
21 C5a C 28.2073 -17.5000
22 N1a N 29.4197 -18.2000
23 O5a O 28.2073 -16.1000
24 O6a O 25.7866 -20.2927
25 O5x O 24.5911 -15.3977
26 C1a C 22.1622 -14.0003
27 O5x O 19.7373 -14.0000
28 C1a C 17.3314 -15.4107
29 O5x O 16.0833 -17.4902
30 C1b C 16.0833 -20.3098
31 C1c C 14.8792 -19.6147
32 C1a C 13.6963 -20.2978
33 C1a C 14.8788 -18.2003
34 N1c N 20.9497 -21.7000
35 C1a C 19.7226 -22.4086
36 C5a C 22.1473 -22.3915
37 C2b C 23.3355 -21.7054
38 O5a O 22.1475 -23.7997
39 C2b C 24.5224 -22.4000
40 C2b C 25.7349 -21.7000
41 C2b C 26.9473 -22.4000
42 C2b C 28.1597 -21.7000
43 C2b C 29.3722 -22.4000
44 C2b C 30.5846 -21.7000
45 C2b C 31.7970 -22.4000
46 C2b C 33.0095 -21.7000
47 C2b C 34.2219 -22.4000
48 C2b C 35.4344 -21.7000
49 C2b C 36.6468 -22.4000
50 C2b C 37.8592 -21.7000
51 C2b C 39.0797 -22.4047
52 C1a C 40.2793 -21.7120
BOND 52
1 1 2 1
2 2 3 1
3 5 6 1
4 3 6 1
5 8 9 1
6 9 10 1
7 5 10 1
8 4 11 2
9 11 12 1
10 12 13 1
11 13 7 1 #Up
12 13 14 1
13 14 15 1
14 15 16 1
15 16 8 1
16 1 17 1
17 17 18 1
18 11 18 1
19 16 19 1 #Up
20 19 20 1
21 20 21 1
22 21 22 1
23 21 23 2
24 15 24 2
25 9 25 2
26 10 26 1 #Up
27 6 27 2
28 3 28 1 #Up
29 1 29 2
30 17 30 1 #Up
31 30 31 1
32 31 32 1
33 31 33 1
34 12 34 1 #Down
35 34 35 1
36 34 36 1
37 36 37 1
38 36 38 2
39 37 39 2
40 39 40 1
41 40 41 2
42 41 42 1
43 42 43 2
44 43 44 1
45 44 45 2
46 45 46 1
47 46 47 2
48 47 48 1
49 48 49 2
50 49 50 1
51 50 51 2
52 51 52 1
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