| | COMPOUND: C15687 | |
Entry |
|
Name |
|
Formula |
C28H43NO6
|
Exact mass |
489.309
|
Mol weight |
489.6441
|
Structure |
|
Sequence |
0 trans-Cyclopentane-1,2-dicarboxylate 1 Mad 2 Mad 3 Mtk 4 Mte 5 Mte 6 Mte 7 Mtk 8 Man |
Gene |
|
Organism |
Streptomyces parvulus |
Type |
PK |
Other DBs |
|
KCF data |
ATOM 35
1 C1x C 18.6200 -21.7000
2 C1y C 19.8100 -21.0000
3 C1x C 21.0700 -21.7000
4 C1y C 22.2600 -21.0000
5 C1x C 23.4500 -21.7000
6 C1y C 24.7100 -21.0000
7 C1y C 25.9000 -21.7000
8 C1x C 25.9000 -23.1000
9 C7x C 27.0900 -23.8000
10 O6a O 28.2800 -23.1000
11 O7x O 27.0900 -25.2000
12 C1y C 25.9000 -25.9000
13 C1x C 24.7100 -25.2000
14 C2x C 23.4500 -25.9000
15 C2x C 22.2600 -25.2000
16 C2x C 21.0700 -25.9000
17 C2y C 19.8100 -25.2000
18 C3b C 18.6200 -25.9000
19 C1y C 18.6200 -23.1000
20 C1a C 17.4300 -23.8000
21 C1y C 19.8100 -23.8000
22 N3a N 17.4300 -26.6000
23 O1a O 21.0000 -23.1000
24 C1a C 19.8100 -19.6000
25 C1a C 22.2600 -19.6000
26 C1a C 24.7100 -19.6000
27 O1a O 27.0900 -21.0000
28 C1y C 25.9000 -27.3000
29 C1x C 24.7800 -28.1400
30 C1x C 25.2000 -29.4000
31 C1x C 26.6000 -29.4000
32 C1y C 27.0200 -28.1400
33 C6a C 28.3500 -27.6500
34 O6a O 29.4000 -28.6300
35 O6a O 28.6300 -26.2500
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 2
10 9 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 1 19 1
19 19 20 1 #Up
20 19 21 1
21 21 17 1
22 18 22 3
23 21 23 1 #Up
24 2 24 1 #Down
25 4 25 1 #Down
26 6 26 1 #Down
27 7 27 1 #Up
28 28 12 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 28 32 1
34 32 33 1 #Down
35 33 34 1
36 33 35 2
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