| Entry |
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| Name |
trans-Oct-2-enoyl-CoA;
(2E)-Octenoyl-CoA
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| Formula |
C29H48N7O17P3S
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| Exact mass |
891.2040
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| Mol weight |
891.72
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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
C05276 (2E)-Octenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 57
1 S2a S 16.0273 -20.5800
2 C1b C 17.2397 -19.8800
3 C1b C 18.4522 -20.5800
4 N1b N 19.6646 -19.8800
5 C5a C 20.8770 -20.5800
6 C1b C 22.0895 -19.8800
7 C1b C 23.3019 -20.5800
8 N1b N 24.5144 -19.8800
9 C5a C 25.7268 -20.5800
10 C1c C 26.9392 -19.8800
11 C1d C 28.1517 -20.5800
12 C1b C 29.3641 -19.8800
13 O2b O 30.5765 -20.5800
14 O5a O 20.8770 -21.9799
15 O5a O 25.7268 -21.9796
16 O1a O 26.9392 -18.4800
17 C1a C 28.1517 -19.1800
18 C1a C 28.1517 -21.9800
19 P1b P 31.9765 -20.5800
20 O1c O 33.3765 -20.5800
21 O1c O 31.9765 -21.9800
22 C1y C 25.4800 -15.6100
23 C1y C 26.8800 -15.6100
24 C1y C 27.3126 -14.2785
25 O2x O 26.1800 -13.4556
26 C1y C 25.0474 -14.2785
27 C1b C 28.6322 -13.8497
28 O1a O 24.6571 -16.7426
29 O2b O 27.7029 -16.7426
30 P1b P 29.1029 -16.7426
31 O1c O 29.1029 -15.3426
32 O1c O 30.5029 -16.7426
33 O1c O 29.1029 -18.1426
34 C8y C 20.9300 -12.4600
35 C8y C 20.9300 -13.8600
36 N4y N 23.3549 -13.8600
37 C8x C 23.3549 -12.4600
38 N5x N 22.1424 -11.7600
39 C8y C 19.7176 -11.7600
40 N5x N 18.5051 -12.4600
41 C8x C 18.5051 -13.8600
42 N5x N 19.7176 -14.5600
43 N1a N 19.7176 -10.3602
44 O2b O 30.6145 -14.2820
45 P1b P 32.0145 -14.2820
46 O1c O 32.0145 -12.8820
47 O1c O 33.4145 -14.2820
48 O2c O 32.0145 -17.5020
49 C5a C 14.8176 -19.8800
50 C2b C 13.6051 -20.5800
51 C2b C 12.3927 -19.8800
52 C1b C 11.1803 -20.5800
53 C1b C 9.9678 -19.8800
54 C1b C 8.7554 -20.5800
55 O5a O 14.8182 -18.4802
56 C1b C 7.5389 -19.8777
57 C1a C 6.3414 -20.5692
BOND 59
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 50 51 2
54 51 52 1
55 52 53 1
56 53 54 1
57 49 55 2
58 54 56 1
59 56 57 1
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