COMPOUND: C22277
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Entry
C22277 Compound
Name
Dehydro coenzyme F420-0;
Dehydro factor 420-0;
7,8-Didemethyl-8-hydroxy-5-deazariboflavin 5'-(1-carboxyvinyl)phosphate;
2-{[5-Deoxy-5-(8-hydroxy-2,4-dioxopyrimidino[4,5-b]quinolin-10(2H)-yl)-L-ribityloxy]hydroxyphosphoryloxy}prop-2-enoate
Formula
C19H20N3O12P
Exact mass
513.0785
Mol weight
513.3488
Structure
Mol file
KCF file
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Reaction
R12648
R12720
Pathway
map00680
Methane metabolism
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.8.17
2.7.8.28
Other DBs
PDB-CCD:
QMD
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PDBj
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KCF data
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ATOM 35
1 C8x C 12.4271 -12.3425
2 C8y C 12.4271 -13.7465
3 C8x C 13.6205 -14.4485
4 C8x C 13.6205 -11.6405
5 C8y C 14.8139 -12.3425
6 C8y C 14.8139 -13.7465
7 N4y N 16.0073 -14.5187
8 C8x C 16.0073 -11.6405
9 C8y C 17.2007 -12.4127
10 C8y C 17.2007 -13.8167
11 N5x N 18.3941 -14.5187
12 C8y C 19.6576 -13.8167
13 N4x N 19.6576 -12.4127
14 C8y C 18.4642 -11.7107
15 O1a O 11.2337 -14.4485
16 O5x O 18.4642 -10.3068
17 O5x O 20.8510 -14.5187
18 C1b C 15.9371 -15.8525
19 C1c C 17.2007 -16.5545
20 C1c C 17.2007 -17.9585
21 C1c C 18.3941 -18.5903
22 C1b C 18.3941 -19.9943
23 O2b O 19.5874 -20.6963
24 O1a O 18.3941 -15.8525
25 O1a O 19.6576 -17.9585
26 O1a O 15.9371 -18.5903
27 P1b P 20.9914 -20.6963
28 O2b O 22.3954 -20.6963
29 O1c O 20.9914 -19.2923
30 O1c O 20.9914 -22.1003
31 C2c C 23.6590 -19.9943
32 C6a C 24.8524 -20.6963
33 C2a C 23.6590 -18.5903
34 O6a O 24.8524 -22.1003
35 O6a O 26.1160 -20.0645
BOND 37
1 9 10 1
2 10 11 2
3 11 12 1
4 12 13 1
5 13 14 1
6 14 9 1
7 5 6 2
8 2 15 1
9 6 7 1
10 14 16 2
11 7 10 1
12 12 17 2
13 9 8 2
14 8 5 1
15 5 4 1
16 4 1 2
17 1 2 1
18 2 3 2
19 3 6 1
20 7 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 24 1 #Down
27 21 25 1 #Down
28 20 26 1 #Up
29 23 27 1
30 27 28 1
31 27 29 2
32 27 30 1
33 28 31 1
34 31 32 1
35 31 33 2
36 32 34 2
37 32 35 1
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