 | | COMPOUND: C09825 | |
| Entry |
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| Name |
2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA;
6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA
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| Formula |
C28H44N7O19P3S
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| Exact mass |
907.1626
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| Mol weight |
907.6707
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C09825 2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA
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| Other DBs |
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| KCF data |
ATOM 58
1 S2a S 13.7200 -20.5800
2 C1b C 14.9100 -19.8800
3 C1b C 16.1700 -20.5800
4 N1b N 17.3600 -19.8800
5 C5a C 18.5500 -20.5800
6 C1b C 19.8100 -19.8800
7 C1b C 21.0000 -20.5800
8 N1b N 22.1900 -19.8800
9 C5a C 23.4500 -20.5800
10 C1c C 24.6400 -19.8800
11 C1d C 25.8300 -20.5800
12 C1b C 27.0200 -19.8800
13 O2b O 28.2800 -20.5800
14 O5a O 18.5500 -21.9800
15 O5a O 23.4500 -21.9800
16 O1a O 24.6400 -18.4800
17 C1a C 25.8300 -19.1800
18 C1a C 25.8300 -21.9800
19 P1b P 29.6800 -20.5800
20 O1c O 31.0800 -20.5800
21 O1c O 29.6800 -21.9800
22 C1y C 23.1700 -15.6100
23 C1y C 24.5700 -15.6100
24 C1y C 24.9900 -14.2800
25 O2x O 23.8700 -13.4400
26 C1y C 22.7500 -14.2800
27 C1b C 26.3200 -13.8600
28 O1a O 22.3300 -16.7300
29 O2b O 25.4100 -16.7300
30 P1b P 26.8100 -16.7300
31 O1c O 26.8100 -15.3300
32 O1c O 28.2100 -16.7300
33 O1c O 26.8100 -18.1300
34 C8y C 18.6200 -12.4600
35 C8y C 18.6200 -13.8600
36 N4y N 21.0700 -13.8600
37 C8x C 21.0700 -12.4600
38 N5x N 19.8100 -11.7600
39 C8y C 17.4300 -11.7600
40 N5x N 16.1700 -12.4600
41 C8x C 16.1700 -13.8600
42 N5x N 17.4300 -14.5600
43 N1a N 17.4300 -10.3600
44 O2b O 28.2800 -14.2800
45 P1b P 29.6800 -14.2800
46 O1c O 29.6800 -12.8800
47 O1c O 31.0800 -14.2800
48 O2c O 29.6800 -17.5000
49 C5a C 12.6000 -19.9500
50 C1y C 11.4800 -20.5800
51 O5a O 12.6000 -18.6900
52 C1y C 11.4800 -21.9800
53 C5x C 10.2900 -19.8800
54 C1x C 10.2900 -22.6800
55 O1a O 12.6700 -22.6800
56 C1x C 9.1000 -20.5800
57 O5x O 10.2900 -18.4800
58 C1x C 9.1000 -21.9800
BOND 61
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 49 51 2
54 50 52 1
55 50 53 1
56 52 54 1
57 52 55 1
58 53 56 1
59 53 57 2
60 54 58 1
61 56 58 1
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» Japanese version
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