KEGG   COMPOUND: C14803Help
Entry
C14803                      Compound                               

Name
1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
Formula
C20H24N4O9S
Exact mass
496.1264
Mol weight
496.491
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8x C    31.1931  -22.6851
            2   C8x C    31.1931  -24.0588
            3   C8x C    30.0254  -24.7457
            4   C8y C    28.7890  -24.0588
            5   C8y C    28.7890  -22.6851
            6   C8y C    30.0254  -21.9982
            7   C2x C    27.6214  -24.7457
            8   C2x C    26.4537  -24.0588
            9   C1y C    26.4537  -22.6851
            10  C1y C    27.6214  -21.9982
            11  S2a S    27.6214  -20.8305
            12  O1a O    25.2860  -21.9982
            13  C1c C    26.3850  -17.4649
            14  C5a C    27.6214  -16.7780
            15  N1b N    25.2173  -16.7093
            16  C1b C    26.3850  -18.8386
            17  N1b N    28.7890  -17.5336
            18  O5a O    27.6227  -15.4043
            19  C5a C    23.9810  -17.3962
            20  C1b C    29.9567  -16.8467
            21  C1b C    22.8133  -16.6406
            22  O5a O    23.9810  -18.7699
            23  C6a C    31.1244  -17.6023
            24  C1b C    21.6456  -17.2588
            25  O6a O    32.3608  -16.9154
            26  O6a O    31.1244  -18.9760
            27  C1c C    20.4779  -16.5033
            28  C6a C    19.2416  -17.1901
            29  N1a N    20.4779  -15.1295
            30  O6a O    18.1426  -16.4346
            31  O6a O    19.2416  -18.6326
            32  N2b N    30.0423  -20.6246 #+
            33  O3a O    31.2274  -19.9595 #-
            34  O3a O    28.8486  -19.9157
BOND        35
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 1
            13    9  12 1
            14   13  14 1
            15   13  15 1
            16   13  16 1 #Down
            17   14  17 1
            18   14  18 2
            19   15  19 1
            20   17  20 1
            21   19  21 1
            22   19  22 2
            23   20  23 1
            24   21  24 1
            25   23  25 1
            26   23  26 2
            27   24  27 1
            28   27  28 1
            29   27  29 1 #Up
            30   28  30 1
            31   28  31 2
            32   16  11 1
            33    6  32 1
            34   32  33 1
            35   32  34 2

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