| Entry |
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| Name |
2-trans-Dodecenoyl-CoA;
(2E)-Dodec-2-enoyl-CoA;
(2E)-Dodecenoyl-CoA
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| Formula |
C33H56N7O17P3S
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| Exact mass |
947.2666
|
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| Mol weight |
947.82
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| Structure |
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| Reaction |
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| Pathway |
|
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| Module |
| M00085 | Fatty acid elongation in mitochondria |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C03221 (2E)-Dodecenoyl-CoA
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| Other DBs |
|
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| KCF data |
ATOM 61
1 C2b C 17.9200 -21.0700
2 C5a C 19.1800 -20.3700
3 S2a S 20.3700 -21.0700
4 C1b C 21.5600 -20.3700
5 C1b C 22.8200 -21.0700
6 N1b N 24.0100 -20.3700
7 C5a C 25.2000 -21.0700
8 C1b C 26.4600 -20.3700
9 C1b C 27.6500 -21.0700
10 N1b N 28.8400 -20.3700
11 C5a C 30.1000 -21.0700
12 C1c C 31.2900 -20.3700
13 C1d C 32.4800 -21.0700
14 C1b C 33.6700 -20.3700
15 O2b O 34.9300 -21.0700
16 O5a O 19.1800 -18.9700
17 O5a O 25.2000 -22.4700
18 O5a O 30.1000 -22.4700
19 O1a O 31.2900 -18.9700
20 C1a C 32.4800 -19.6700
21 C1a C 32.4800 -22.4700
22 P1b P 36.3300 -21.0700
23 O1c O 37.7300 -21.0700
24 O1c O 36.3300 -22.4700
25 C1y C 29.8200 -16.1000
26 C1y C 31.2200 -16.1000
27 C1y C 31.6400 -14.7700
28 O2x O 30.5200 -13.9300
29 C1y C 29.4000 -14.7700
30 C1b C 32.9700 -14.3500
31 O1a O 28.9800 -17.2200
32 O2b O 32.0600 -17.2200
33 P1b P 33.4600 -17.2200
34 O1c O 33.4600 -15.8200
35 O1c O 34.8600 -17.2200
36 O1c O 33.4600 -18.6200
37 C8y C 25.2700 -12.9500
38 C8y C 25.2700 -14.3500
39 N4y N 27.7200 -14.3500
40 C8x C 27.7200 -12.9500
41 N5x N 26.4600 -12.2500
42 C8y C 24.0800 -12.2500
43 N5x N 22.8200 -12.9500
44 C8x C 22.8200 -14.3500
45 N5x N 24.0800 -15.0500
46 N1a N 24.0800 -10.8500
47 O2b O 34.9300 -14.7700
48 P1b P 36.3300 -14.7700
49 O1c O 36.3300 -13.3700
50 O1c O 37.7300 -14.7700
51 O2c O 36.3300 -17.9900
52 C2b C 16.7300 -20.3700
53 C1b C 15.5400 -21.0700
54 C1b C 14.3500 -20.3700
55 C1b C 13.1600 -21.0700
56 C1b C 11.9700 -20.3700
57 C1b C 10.7100 -21.0700
58 C1b C 9.5200 -20.3700
59 C1b C 8.3300 -21.0700
60 C1b C 7.1400 -20.3700
61 C1a C 5.8800 -21.0700
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 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 2
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 60 61 1
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