| Entry |
|
|---|
| Name |
Vatiquinone (JAN/USAN/INN) |
|---|
| Formula |
C29H44O3
|
|---|
| Exact mass |
440.3290
|
|---|
| Mol weight |
440.66
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Methabolic disease therapeutic agent |
|---|
| Comment |
Treatment of inherited mitochondrial respiratory chain diseases
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C2y C 8.3312 -15.4727
2 C2y C 8.3312 -16.8729
3 C5x C 9.5438 -17.5730
4 C2y C 10.7564 -16.8729
5 C2y C 10.7564 -15.4727
6 C5x C 9.5438 -14.7726
7 O5x O 9.5438 -13.3725
8 O5x O 9.5438 -18.9730
9 C1a C 7.1186 -14.7726
10 C1a C 7.1186 -17.5730
11 C1a C 11.9877 -17.5840
12 C1b C 11.9941 -14.7726
13 C1b C 13.2068 -15.4727
14 C1d C 14.4194 -14.7726
15 C1b C 15.6320 -15.4727
16 C1b C 16.8446 -14.7726
17 C2b C 18.0572 -15.4727
18 C2c C 19.2698 -14.7726
19 C1b C 20.4825 -15.4727
20 C1b C 21.6951 -14.7726
21 C2b C 22.9077 -15.4727
22 C2c C 24.1203 -14.7726
23 C1b C 25.3329 -15.4727
24 C1b C 26.5456 -14.7726
25 C2b C 27.7582 -15.4727
26 O1a O 13.2088 -14.0736
27 C1a C 15.6341 -14.0712
28 C1a C 19.2698 -13.3724
29 C1a C 24.1203 -13.3727
30 C2c C 28.9449 -14.7871
31 C1a C 30.1284 -15.4701
32 C1a C 28.9449 -13.3726
BOND 32
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 1 9 1
10 2 10 1
11 4 11 1
12 5 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 1
25 24 25 1
26 14 26 1 #Down
27 14 27 1 #Up
28 18 28 1
29 22 29 1
30 25 30 2
31 30 31 1
32 30 32 1
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