 | | COMPOUND: C16471 | |
| Entry |
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| Name |
5-Methyl-3-oxo-4-hexenoyl-CoA
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| Formula |
C28H44N7O18P3S
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| Exact mass |
891.1676
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| Mol weight |
891.6713
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| Structure |
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| Reaction |
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| Pathway |
| map00907 | Pinene, camphor and geraniol degradation |
| map01120 | Microbial metabolism in diverse environments |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 57
1 C1b C 11.8300 -21.0700
2 C5a C 10.6400 -20.3700
3 C2b C 9.3800 -21.0700
4 C2c C 8.1900 -20.3700
5 C1a C 7.0000 -21.0700
6 C1a C 8.1900 -18.9700
7 O5a O 10.6400 -18.9700
8 C5a C 13.0900 -20.3700
9 S2a S 14.2800 -21.0700
10 C1b C 15.4700 -20.3700
11 C1b C 16.7300 -21.0700
12 N1b N 17.9200 -20.3700
13 C5a C 19.1100 -21.0700
14 C1b C 20.3700 -20.3700
15 C1b C 21.5600 -21.0700
16 N1b N 22.7500 -20.3700
17 C5a C 24.0100 -21.0700
18 C1c C 25.2000 -20.3700
19 C1d C 26.3900 -21.0700
20 C1b C 27.5800 -20.3700
21 O2b O 28.8400 -21.0700
22 O5a O 13.0900 -18.9700
23 O5a O 19.1100 -22.4700
24 O5a O 24.0100 -22.4700
25 O1a O 25.2000 -18.9700
26 C1a C 26.3900 -19.6700
27 C1a C 26.3900 -22.4700
28 P1b P 30.2400 -21.0700
29 O1c O 31.6400 -21.0700
30 O1c O 30.2400 -22.4700
31 C1y C 23.7300 -16.1000
32 C1y C 25.1300 -16.1000
33 C1y C 25.5500 -14.7700
34 O2x O 24.4300 -13.9300
35 C1y C 23.3100 -14.7700
36 C1b C 26.8800 -14.3500
37 O1a O 22.8900 -17.2200
38 O2b O 25.9700 -17.2200
39 P1b P 27.3700 -17.2200
40 O1c O 27.3700 -15.8200
41 O1c O 28.7700 -17.2200
42 O1c O 27.3700 -18.6200
43 C8y C 19.1800 -12.9500
44 C8y C 19.1800 -14.3500
45 N4y N 21.6300 -14.3500
46 C8x C 21.6300 -12.9500
47 N5x N 20.3700 -12.2500
48 C8y C 17.9900 -12.2500
49 N5x N 16.7300 -12.9500
50 C8x C 16.7300 -14.3500
51 N5x N 17.9900 -15.0500
52 N1a N 17.9900 -10.8500
53 O2b O 28.8400 -14.7700
54 P1b P 30.2400 -14.7700
55 O1c O 30.2400 -13.3700
56 O1c O 31.6400 -14.7700
57 O2c O 30.2400 -17.9900
BOND 59
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 4 6 1
6 2 7 2
7 1 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 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 8 22 2
22 13 23 2
23 17 24 2
24 18 25 1 #Down
25 19 26 1
26 19 27 1
27 21 28 1
28 28 29 2
29 28 30 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 31 35 1
35 33 36 1 #Down
36 31 37 1 #Up
37 32 38 1 #Up
38 38 39 1
39 39 40 1
40 39 41 1
41 39 42 2
42 43 44 2
43 44 45 1
44 45 46 1
45 46 47 2
46 43 47 1
47 43 48 1
48 48 49 2
49 49 50 1
50 50 51 2
51 44 51 1
52 48 52 1
53 35 45 1 #Down
54 36 53 1
55 53 54 1
56 54 55 1
57 54 56 2
58 54 57 1
59 28 57 1
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