Entry |
|
Name |
|
Formula |
C40H56N6O8
|
Exact mass |
748.416
|
Mol weight |
748.908
|
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 54
1 C5x C 31.4300 -24.9900
2 N1x N 32.6200 -24.2900
3 C1y C 32.6200 -22.8900
4 O5x O 33.8100 -24.9900
5 N1x N 35.0700 -22.8900
6 C5x C 33.8100 -22.1900
7 C1a C 36.2600 -24.9900
8 N1x N 37.4500 -24.2900
9 C5x C 37.4500 -22.8900
10 C1y C 36.2600 -22.1900
11 C5x C 33.8100 -26.3900
12 C1y C 35.0700 -27.0900
13 C1y C 36.2600 -26.3900
14 O7x O 37.4500 -27.0900
15 C7x C 38.7100 -26.3900
16 C1y C 38.7100 -24.9900
17 C1y C 31.4300 -26.3900
18 N1x N 32.6200 -27.0900
19 C1b C 39.9000 -24.2900
20 C1b C 41.0900 -24.9900
21 C5a C 42.2800 -24.2900
22 N1a N 43.5400 -24.9900
23 O5a O 42.2800 -22.8900
24 O6a O 39.9000 -27.0900
25 O5x O 38.7100 -22.1900
26 C1a C 36.2600 -20.7900
27 O5x O 33.8100 -20.7900
28 C1a C 31.4300 -22.1900
29 O5x O 30.1700 -24.2900
30 C1b C 30.1700 -27.0900
31 C1c C 28.9800 -26.4600
32 C1a C 27.7900 -27.0900
33 C1a C 28.9800 -24.9900
34 N1c N 35.0700 -28.4900
35 C1a C 33.8100 -29.2600
36 C5a C 36.2600 -29.1900
37 C2b C 37.4500 -28.4900
38 O5a O 36.2600 -30.5900
39 C2b C 38.6400 -29.1900
40 C2b C 39.8300 -28.4900
41 C2b C 41.0200 -29.1900
42 C2b C 42.2800 -28.4900
43 C2b C 43.4700 -29.1900
44 C2b C 44.6600 -28.4900
45 C2b C 45.9200 -29.1900
46 C2b C 47.1100 -28.4900
47 C2b C 48.3000 -29.1900
48 C2b C 49.5600 -28.4900
49 C2b C 50.7500 -29.1900
50 C2b C 51.9400 -28.4900
51 C2b C 53.2000 -29.1900
52 C2b C 54.3900 -28.5600
53 C2b C 55.5759 -29.3040
54 C1a C 56.8055 -28.6532
BOND 54
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
53 52 53 2
54 53 54 1
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