| Entry |
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| Name |
2-(alpha-Hydroxyethyl)thiamine diphosphate;
2-Hydroxyethyl-ThPP
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| Formula |
C14H23N4O8P2S
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| Exact mass |
469.0712
|
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| Mol weight |
469.37
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| Structure |
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| Reaction |
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| Pathway |
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| Module |
| M00307 | Pyruvate oxidation, pyruvate => acetyl-CoA |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 N5y N 24.4191 -21.3840 #+
2 C8y C 25.5627 -20.5757
3 C8y C 24.8378 -22.7204
4 C1b C 22.9259 -20.5029
5 S2x S 26.6815 -21.4130
6 C1c C 25.5786 -19.1753
7 C8y C 26.2330 -22.7336
8 C1a C 24.0677 -23.7043
9 C8y C 21.7166 -21.2040
10 C1a C 24.3822 -18.4623
11 O1a O 26.8013 -18.4936
12 C8y C 21.7166 -22.6118
13 C8x C 20.4898 -20.5087
14 N5x N 20.4898 -23.3305
15 N1a N 22.7159 -23.7329
16 N5x N 19.2863 -21.2040
17 C8y C 19.2863 -22.6118
18 C1a C 18.0770 -23.3129
19 C1b C 27.4624 -23.4500
20 C1b C 28.6749 -22.7500
21 O2b O 29.9060 -23.4610
22 P1b P 31.3060 -23.4610
23 O2c O 32.7060 -23.4610
24 P1b P 34.1060 -23.4610
25 O1c O 35.5060 -23.4610
26 O1c O 31.3060 -22.0610
27 O1c O 34.1060 -22.0610
28 O1c O 31.3060 -24.8610
29 O1c O 34.1060 -24.8610
BOND 30
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 6 10 1
10 6 11 1
11 9 12 2
12 9 13 1
13 12 14 1
14 12 15 1
15 13 16 2
16 14 17 2
17 17 18 1
18 5 7 1
19 16 17 1
20 7 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 22 26 2
28 24 27 2
29 22 28 1
30 24 29 1
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