COMPOUND: C20879
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Entry
C20879 Compound
Name
Very-long-chain trans-2,3-dehydroacyl-CoA
Formula
C24H37N7O17P3SR
Structure
Mol file
KCF file
DB search
Comment
Generic compound in reaction hierarchy
Reaction
R10827
R10828
Pathway
map00062
Fatty acid elongation
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.3.1.93
4.2.1.134
Other DBs
PubChem:
254741345
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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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