 | | COMPOUND: C15978 | |
| Entry |
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| Name |
2-Methyl-1-hydroxybutyl-ThPP;
2-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 32.0950 -22.4506 #+
2 C8y C 32.7356 -21.2102
3 C8y C 33.0791 -23.4408
4 C1b C 30.8836 -21.7576
5 S2x S 34.1100 -21.4372
6 C1c C 32.1065 -19.9638
7 C8y C 34.3197 -22.8117
8 C1a C 32.9217 -24.8210
9 C8y C 29.6780 -22.4566
10 C1c C 30.7207 -19.8824
11 O1a O 32.8753 -18.7991
12 C1b C 35.5602 -23.4524
13 C8y C 29.6780 -23.8600
14 C8x C 28.4550 -21.7634
15 C1b C 36.7308 -22.6953
16 N5x N 28.4550 -24.5765
17 N1a N 30.8836 -24.5589
18 N5x N 27.2553 -22.4566
19 O2b O 37.9713 -23.3359
20 C8y C 27.2553 -23.8600
21 P1b P 39.1420 -22.5788
22 C1a C 26.0497 -24.5589
23 O2c O 40.3823 -23.2194
24 O1c O 39.5671 -23.9764
25 P1b P 41.5531 -22.4622
26 O1c O 42.7877 -23.0972
27 O1c O 41.9783 -23.8599
28 O1c O 39.1420 -21.1831
29 O1c O 41.5531 -21.0666
30 C1b C 30.0917 -18.6285
31 C1a C 28.6867 -18.5458
32 C1a C 29.9547 -21.0457
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 10 32 1 #Up
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