KEGG   COMPOUND: C22277
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
Reaction
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[PDBj]
KCF data

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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