 | | COMPOUND: C15974 | |
| Entry |
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| Name |
3-Methyl-1-hydroxybutyl-ThPP;
3-Methyl-1-hydroxybutyl-TPP
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| Formula |
C17H29N4O8P2S
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| Exact mass |
511.1181
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| Mol weight |
511.4467
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| Structure |
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| Reaction |
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 32
1 N5y N 30.9312 -24.9080 #+
2 C8y C 31.5738 -23.6638
3 C8y C 31.9184 -25.9013
4 C1b C 29.7159 -24.2129
5 S2x S 32.9525 -23.8915
6 C1c C 30.9427 -22.4135
7 C8y C 33.1628 -25.2703
8 C1a C 31.7605 -27.2858
9 C8y C 28.5066 -24.9140
10 C1b C 29.5525 -22.3318
11 O1a O 31.7139 -21.2452
12 C1b C 34.4072 -25.9129
13 C8y C 28.5066 -26.3218
14 C8x C 27.2798 -24.2187
15 C1b C 35.5814 -25.1535
16 N5x N 27.2798 -27.0405
17 N1a N 29.7159 -27.0229
18 N5x N 26.0763 -24.9140
19 O2b O 36.8258 -25.7961
20 C8y C 26.0763 -26.3218
21 P1b P 38.0001 -25.0366
22 C1a C 24.8670 -27.0229
23 O2c O 39.2443 -25.6792
24 O1c O 38.4265 -26.4386
25 P1b P 40.4187 -24.9197
26 O1c O 41.6572 -25.5566
27 O1c O 40.8452 -26.3217
28 O1c O 38.0001 -23.6366
29 O1c O 40.4187 -23.5197
30 C1c C 28.9216 -21.0740
31 C1a C 27.5122 -20.9911
32 C1a C 29.6898 -19.9073
BOND 33
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 7 12 1
12 9 13 2
13 9 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 2
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 1
24 23 25 1
25 25 26 1
26 25 27 1
27 5 7 1
28 18 20 1
29 21 28 2
30 25 29 2
31 10 30 1
32 30 31 1
33 30 32 1
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