COMPOUND: C20879
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Entry
C20879 Compound
Name
Very-long-chain trans-2,3-dehydroacyl-CoA
Formula
C26H41N7O17P3SR
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 55
1 C2b C 13.6024 -20.3700
2 C5a C 14.8149 -19.6700
3 S2a S 16.0273 -20.3700
4 C1b C 17.2397 -19.6700
5 C1b C 18.4522 -20.3700
6 N1b N 19.6646 -19.6700
7 C5a C 20.8770 -20.3700
8 C1b C 22.0895 -19.6700
9 C1b C 23.3019 -20.3700
10 N1b N 24.5144 -19.6700
11 C5a C 25.7268 -20.3700
12 C1c C 26.9392 -19.6700
13 C1d C 28.1517 -20.3700
14 C1b C 29.3641 -19.6700
15 O2b O 30.5765 -20.3700
16 O5a O 14.8149 -18.2702
17 O5a O 20.8770 -21.7699
18 O5a O 25.7268 -21.7696
19 O1a O 26.9392 -18.2700
20 C1a C 28.1517 -18.9700
21 C1a C 28.1517 -21.7700
22 P1b P 31.9765 -20.3700
23 O1c O 33.3765 -20.3700
24 O1c O 31.9765 -21.7700
25 C1y C 25.4800 -15.4000
26 C1y C 26.8800 -15.4000
27 C1y C 27.3126 -14.0685
28 O2x O 26.1800 -13.2456
29 C1y C 25.0474 -14.0685
30 C1b C 28.6322 -13.6397
31 O1a O 24.6571 -16.5326
32 O2b O 27.7029 -16.5326
33 P1b P 29.1029 -16.5326
34 O1c O 29.1029 -15.1326
35 O1c O 30.5029 -16.5326
36 O1c O 29.1029 -17.9326
37 C8y C 20.9300 -12.2500
38 C8y C 20.9300 -13.6500
39 N4y N 23.3549 -13.6500
40 C8x C 23.3549 -12.2500
41 N5x N 22.1424 -11.5500
42 C8y C 19.7176 -11.5500
43 N5x N 18.5051 -12.2500
44 C8x C 18.5051 -13.6500
45 N5x N 19.7176 -14.3500
46 N1a N 19.7176 -10.1502
47 O2b O 30.6145 -14.0720
48 P1b P 32.0145 -14.0720
49 O1c O 32.0145 -12.6720
50 O1c O 33.4145 -14.0720
51 O2c O 32.0145 -17.2920
52 C2b C 12.3676 -19.6700
53 C1b C 11.1551 -20.3700
54 C1b C 9.9427 -19.6700
55 R R 8.7303 -20.3700
BOND 57
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
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