| Entry |
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| Name |
(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA;
(S)-3-Hydroxy-2-methylbutyryl-CoA
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| Formula |
C26H44N7O18P3S
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| Exact mass |
867.1676
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| Mol weight |
867.65
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| Structure |
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| Reaction |
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C04405 (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 55
1 C1c C 8.7724 -20.5800
2 C5a C 9.9849 -19.8800
3 S2a S 11.1973 -20.5800
4 C1b C 12.4097 -19.8800
5 C1b C 13.6222 -20.5800
6 N1b N 14.8346 -19.8800
7 C5a C 16.0470 -20.5800
8 C1b C 17.2595 -19.8800
9 C1b C 18.4719 -20.5800
10 N1b N 19.6844 -19.8800
11 C5a C 20.8968 -20.5800
12 C1c C 22.1092 -19.8800
13 C1d C 23.3217 -20.5800
14 C1b C 24.5341 -19.8800
15 O2b O 25.7465 -20.5800
16 O5a O 9.9849 -18.4802
17 O5a O 16.0470 -21.9799
18 O5a O 20.8968 -21.9796
19 O1a O 22.1092 -18.4800
20 C1a C 23.3217 -19.1800
21 C1a C 23.3217 -21.9800
22 P1b P 27.1465 -20.5800
23 O1c O 28.5465 -20.5800
24 O1c O 27.1465 -21.9800
25 C1y C 20.6500 -15.6100
26 C1y C 22.0500 -15.6100
27 C1y C 22.4826 -14.2785
28 O2x O 21.3500 -13.4556
29 C1y C 20.2174 -14.2785
30 C1b C 23.8022 -13.8497
31 O1a O 19.8271 -16.7426
32 O2b O 22.8729 -16.7426
33 P1b P 24.2729 -16.7426
34 O1c O 24.2729 -15.3426
35 O1c O 25.6729 -16.7426
36 O1c O 24.2729 -18.1426
37 C8y C 16.1000 -12.4600
38 C8y C 16.1000 -13.8600
39 N4y N 18.5249 -13.8600
40 C8x C 18.5249 -12.4600
41 N5x N 17.3124 -11.7600
42 C8y C 14.8876 -11.7600
43 N5x N 13.6751 -12.4600
44 C8x C 13.6751 -13.8600
45 N5x N 14.8876 -14.5600
46 N1a N 14.8876 -10.3602
47 O2b O 25.7845 -14.2820
48 P1b P 27.1845 -14.2820
49 O1c O 27.1845 -12.8820
50 O1c O 28.5845 -14.2820
51 O2c O 27.1845 -17.5020
52 C1c C 7.5376 -19.8800
53 C1a C 6.3251 -20.5800
54 C1a C 8.7779 -21.9797
55 O1a O 7.5320 -18.4803
BOND 57
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 1 54 1 #Up
57 52 55 1 #Down
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