Entry |
|
Name |
|
Formula |
C30H48N2O4
|
Exact mass |
500.3614
|
Mol weight |
500.7131
|
Structure |
|
Sequence |
0 (2S,3S) -3-Methylaspartate 1 Mad 2 Mad 3 Mte 4 Mtd 5 Mak 6 Mtd 7 Mad 8 Man |
Gene |
|
Organism |
Streptomyces halstedii |
Type |
PKNRP |
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 36
1 C1y C 32.5500 -25.9000
2 C1x C 32.5500 -24.5000
3 C2x C 31.3600 -23.8000
4 C2x C 30.1000 -25.9000
5 C1y C 31.3600 -26.6000
6 C1a C 28.9100 -23.8000
7 C2x C 27.7200 -25.9000
8 C2x C 28.9100 -26.6000
9 O5x O 25.2700 -24.5000
10 C5x C 25.2700 -25.9000
11 C2x C 26.4600 -26.6000
12 C1x C 24.0800 -23.8000
13 C1y C 22.8200 -24.5000
14 C1x C 22.8200 -25.9000
15 N1x N 24.0800 -26.6000
16 C2x C 26.4600 -22.4000
17 C2x C 25.2700 -21.7000
18 C1x C 24.0800 -22.4000
19 C2y C 28.9100 -22.4000
20 C2x C 27.7200 -21.7000
21 C2y C 31.3600 -22.4000
22 C1x C 30.1000 -21.7000
23 C1a C 31.3600 -28.0000
24 C1a C 32.5500 -21.7000
25 C1a C 21.6300 -23.8000
26 O2a O 33.7400 -26.6000
27 O2x O 34.9300 -24.5000
28 C1y C 34.9300 -25.9000
29 C1x C 36.1200 -26.6000
30 C1y C 37.3800 -25.9000
31 C1y C 37.3800 -24.5000
32 C1y C 36.1200 -23.8000
33 C1a C 36.1200 -22.4000
34 N1b N 38.5700 -23.8000
35 C1a C 39.7600 -24.5000
36 O1a O 38.5700 -26.6000
BOND 37
1 1 2 1
2 2 3 1
3 4 5 1
4 1 5 1
5 7 8 1
6 4 8 2
7 9 10 2
8 10 11 1
9 7 11 2
10 12 13 1
11 13 14 1
12 14 15 1
13 10 15 1
14 16 17 2
15 17 18 1
16 18 12 1
17 6 19 1
18 19 20 2
19 16 20 1
20 3 21 2
21 21 22 1
22 19 22 1
23 5 23 1 #Up
24 21 24 1
25 13 25 1 #Up
26 1 26 1 #Down
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 27 32 1
33 28 26 1 #Down
34 32 33 1 #Down
35 31 34 1 #Up
36 34 35 1
37 30 36 1 #Up
|