| Entry |
|
|---|
| Name |
Cocarboxylase (JAN/INN);
Thiamine pyrophosphate;
Coenzymate (TN) |
|---|
| Formula |
C12H19N4O7P2S. Cl
|
|---|
| Exact mass |
460.0138
|
|---|
| Mol weight |
460.7674
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Supplement (vitamin B1) |
|---|
| Comment |
Vitamin B1 active form
See Vitamin B1 [CPD: C00378]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A11 VITAMINS
A11D VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
A11DA Vitamin B1, plain
A11DA01 Thiamine (vit B1)
D01225 Cocarboxylase (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 X Cl 15.2463 -18.6560 #-
2 N5x N 11.5486 -20.7167
3 C8y C 11.5486 -22.1165
4 N5x N 12.7384 -22.8165
5 C8x C 13.9983 -22.1165
6 C8y C 13.9983 -20.7167
7 C8y C 12.7384 -20.0168
8 C1a C 10.3587 -22.8165
9 C1b C 15.1881 -20.0168
10 N5y N 16.3780 -20.7167 #+
11 C8y C 17.4978 -21.5566
12 C8y C 18.6877 -20.7867
13 S2x S 18.2677 -19.3869
14 C8x C 16.8679 -19.3869
15 C1a C 17.4978 -22.9564
16 C1b C 19.8775 -21.4866
17 C1b C 21.0674 -20.7867
18 O2b O 22.2572 -21.4866
19 P1b P 23.6571 -21.4866
20 O2c O 25.0569 -21.4866
21 P1b P 26.4567 -21.4866
22 O1c O 26.4567 -20.0868
23 O1c O 27.8565 -21.4866
24 O1c O 26.4567 -22.8864
25 O1c O 23.6571 -20.0868
26 O1c O 23.6571 -22.8864
27 N1a N 12.7212 -18.6201
BOND 27
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 3 8 1
8 6 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 10 14 2
15 11 15 1
16 12 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 2
23 21 23 1
24 21 24 1
25 19 25 2
26 19 26 1
27 7 27 1
|
|---|
