COMPOUND: C20676
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Entry
C20676 Compound
Name
Short-chain trans-2,3-dehydroacyl-CoA
Formula
C24H37N7O17P3SR
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R01178
Enzyme
1.3.8.1
Other DBs
PubChem:
172232396
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KCF data
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ATOM 53
1 C2b C 9.9624 -20.5800
2 C5a C 11.1749 -19.8800
3 S2a S 12.3873 -20.5800
4 C1b C 13.5997 -19.8800
5 C1b C 14.8122 -20.5800
6 N1b N 16.0246 -19.8800
7 C5a C 17.2370 -20.5800
8 C1b C 18.4495 -19.8800
9 C1b C 19.6619 -20.5800
10 N1b N 20.8744 -19.8800
11 C5a C 22.0868 -20.5800
12 C1c C 23.2992 -19.8800
13 C1d C 24.5117 -20.5800
14 C1b C 25.7241 -19.8800
15 O2b O 26.9365 -20.5800
16 O5a O 11.1749 -18.4802
17 O5a O 17.2370 -21.9799
18 O5a O 22.0868 -21.9796
19 O1a O 23.2992 -18.4800
20 C1a C 24.5117 -19.1800
21 C1a C 24.5117 -21.9800
22 P1b P 28.3365 -20.5800
23 O1c O 29.7365 -20.5800
24 O1c O 28.3365 -21.9800
25 C1y C 21.8400 -15.6100
26 C1y C 23.2400 -15.6100
27 C1y C 23.6726 -14.2785
28 O2x O 22.5400 -13.4556
29 C1y C 21.4074 -14.2785
30 C1b C 24.9922 -13.8497
31 O1a O 21.0171 -16.7426
32 O2b O 24.0629 -16.7426
33 P1b P 25.4629 -16.7426
34 O1c O 25.4629 -15.3426
35 O1c O 26.8629 -16.7426
36 O1c O 25.4629 -18.1426
37 C8y C 17.2900 -12.4600
38 C8y C 17.2900 -13.8600
39 N4y N 19.7149 -13.8600
40 C8x C 19.7149 -12.4600
41 N5x N 18.5024 -11.7600
42 C8y C 16.0776 -11.7600
43 N5x N 14.8651 -12.4600
44 C8x C 14.8651 -13.8600
45 N5x N 16.0776 -14.5600
46 N1a N 16.0776 -10.3602
47 O2b O 26.9745 -14.2820
48 P1b P 28.3745 -14.2820
49 O1c O 28.3745 -12.8820
50 O1c O 29.7745 -14.2820
51 O2c O 28.3745 -17.5020
52 C2b C 8.7333 -19.8702
53 R R 7.5292 -20.5653
BOND 55
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
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