| Entry |
|
|---|
| Name |
2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA
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| Formula |
C31H50N7O18P3S
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|---|
| Exact mass |
933.2146
|
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| Mol weight |
933.75
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| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map01220 | Degradation of aromatic compounds |
|
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| Enzyme |
1.1.-.- 4.2.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C11934 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 60
1 S2a S 12.9500 -21.7000
2 C1b C 14.1400 -21.0000
3 C1b C 15.4000 -21.7000
4 N1b N 16.5900 -21.0000
5 C5a C 17.7800 -21.7000
6 C1b C 19.0400 -21.0000
7 C1b C 20.2300 -21.7000
8 N1b N 21.4200 -21.0000
9 C5a C 22.6800 -21.7000
10 C1c C 23.8700 -21.0000
11 C1d C 25.0600 -21.7000
12 C1b C 26.2500 -21.0000
13 O2b O 27.5100 -21.7000
14 O5a O 17.7800 -23.1000
15 O5a O 22.6800 -23.1000
16 O1a O 23.8700 -19.6000
17 C1a C 25.0600 -20.3000
18 C1a C 25.0600 -23.1000
19 P1b P 28.9100 -21.7000
20 O1c O 30.3100 -21.7000
21 O1c O 28.9100 -23.1000
22 C1y C 22.4000 -16.7300
23 C1y C 23.8000 -16.7300
24 C1y C 24.2200 -15.4000
25 O2x O 23.1000 -14.5600
26 C1y C 21.9800 -15.4000
27 C1b C 25.5500 -14.9800
28 O1a O 21.5600 -17.8500
29 O2b O 24.6400 -17.8500
30 P1b P 26.0400 -17.8500
31 O1c O 26.0400 -16.4500
32 O1c O 27.4400 -17.8500
33 O1c O 26.0400 -19.2500
34 C8y C 17.8500 -13.5800
35 C8y C 17.8500 -14.9800
36 N4y N 20.3000 -14.9800
37 C8x C 20.3000 -13.5800
38 N5x N 19.0400 -12.8800
39 C8y C 16.6600 -12.8800
40 N5x N 15.4000 -13.5800
41 C8x C 15.4000 -14.9800
42 N5x N 16.6600 -15.6800
43 N1a N 16.6600 -11.4800
44 O2b O 27.5100 -15.4000
45 P1b P 28.9100 -15.4000
46 O1c O 28.9100 -14.0000
47 O1c O 30.3100 -15.4000
48 O2c O 28.9100 -18.6200
49 C5a C 11.8300 -22.3300
50 C1y C 11.8300 -23.5900
51 O5a O 10.7100 -21.7000
52 C1x C 12.9500 -24.2200
53 C1x C 12.9500 -25.5500
54 C1y C 11.8300 -26.1800
55 C1x C 10.7100 -25.5500
56 C1y C 10.7100 -24.2200
57 C2c C 11.8300 -27.4400
58 C2a C 12.9500 -28.1400
59 C1a C 10.7100 -28.1400
60 O1a O 9.5900 -23.5900
BOND 63
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 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 50 1
60 54 57 1
61 57 58 2
62 57 59 1
63 56 60 1
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