 | | COMPOUND: C11945 | |
| Entry |
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| Name |
trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
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| Formula |
C31H50N7O17P3S
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| Exact mass |
917.2197
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| Mol weight |
917.7517
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| Structure |
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| Reaction |
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| Pathway |
| map00907 | Pinene, camphor and geraniol degradation |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C11945 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 59
1 S2a S 12.4600 -20.5800
2 C1b C 13.6500 -19.8800
3 C1b C 14.9100 -20.5800
4 N1b N 16.1000 -19.8800
5 C5a C 17.2900 -20.5800
6 C1b C 18.5500 -19.8800
7 C1b C 19.7400 -20.5800
8 N1b N 20.9300 -19.8800
9 C5a C 22.1900 -20.5800
10 C1c C 23.3800 -19.8800
11 C1d C 24.5700 -20.5800
12 C1b C 25.7600 -19.8800
13 O2b O 27.0200 -20.5800
14 O5a O 17.2900 -21.9800
15 O5a O 22.1900 -21.9800
16 O1a O 23.3800 -18.4800
17 C1a C 24.5700 -19.1800
18 C1a C 24.5700 -21.9800
19 P1b P 28.4200 -20.5800
20 O1c O 29.8200 -20.5800
21 O1c O 28.4200 -21.9800
22 C1y C 21.9100 -15.6100
23 C1y C 23.3100 -15.6100
24 C1y C 23.7300 -14.2800
25 O2x O 22.6100 -13.4400
26 C1y C 21.4900 -14.2800
27 C1b C 25.0600 -13.8600
28 O1a O 21.0700 -16.7300
29 O2b O 24.1500 -16.7300
30 P1b P 25.5500 -16.7300
31 O1c O 25.5500 -15.3300
32 O1c O 26.9500 -16.7300
33 O1c O 25.5500 -18.1300
34 C8y C 17.3600 -12.4600
35 C8y C 17.3600 -13.8600
36 N4y N 19.8100 -13.8600
37 C8x C 19.8100 -12.4600
38 N5x N 18.5500 -11.7600
39 C8y C 16.1700 -11.7600
40 N5x N 14.9100 -12.4600
41 C8x C 14.9100 -13.8600
42 N5x N 16.1700 -14.5600
43 N1a N 16.1700 -10.3600
44 O2b O 27.0200 -14.2800
45 P1b P 28.4200 -14.2800
46 O1c O 28.4200 -12.8800
47 O1c O 29.8200 -14.2800
48 O2c O 28.4200 -17.5000
49 C2c C 11.4800 -22.6100
50 C2b C 12.6000 -23.2400
51 C1b C 12.6000 -24.5000
52 C2c C 11.4800 -25.2000
53 C2a C 10.3600 -24.5700
54 C1a C 10.3600 -23.2400
55 C1c C 11.4800 -26.4600
56 C1a C 12.6000 -27.0900
57 C1a C 10.3600 -27.0900
58 C5a C 11.4800 -21.3500
59 O5a O 10.3600 -20.6500
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 50 51 1
52 51 52 1
53 52 53 2
54 54 49 1
55 52 55 1
56 55 56 1
57 55 57 1
58 49 50 2
59 1 58 1
60 58 49 1
61 58 59 2
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» Japanese version
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