KEGG   COMPOUND: C14805
Entry
C14805                      Compound                               

Name
1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene
Formula
C20H24N4O9S
Exact mass
496.1264
Mol weight
496.491
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
PubChem: 17395803
ChEBI: 34101
NIKKAJI: J2.789.442I
KCF data

ATOM        34
            1   C2x C    26.0317  -17.6394
            2   C1y C    26.0317  -19.0197
            3   C1y C    27.2049  -19.7099
            4   C8y C    28.4472  -19.0197
            5   C8y C    28.4472  -17.6394
            6   C2x C    27.2049  -16.9493
            7   C8x C    29.6205  -19.7099
            8   C8x C    30.7937  -19.0197
            9   C8x C    30.7937  -17.6394
            10  C8y C    29.6205  -16.9493
            11  N2b N    29.6205  -15.5690 #+
            12  O3a O    30.7937  -14.8788 #-
            13  O3a O    28.4472  -14.8788
            14  O1a O    27.2049  -21.0902
            15  S2a S    24.8584  -19.7099
            16  C1c C    26.3767  -22.8156
            17  C5a C    27.6190  -23.4367
            18  N1b N    25.2035  -23.5057
            19  C1b C    26.3767  -21.4353
            20  N1b N    28.7923  -22.7466
            21  O5a O    27.6190  -24.8170
            22  C5a C    23.9612  -22.8846
            23  C1b C    29.9655  -23.3677
            24  C1b C    22.7879  -23.5748
            25  O5a O    23.9612  -21.5043
            26  C6a C    31.1388  -22.6776
            27  C1b C    21.6147  -22.9536
            28  O6a O    32.3811  -23.2987
            29  O6a O    31.1388  -21.2973
            30  C1c C    20.4414  -23.7128
            31  C6a C    19.1991  -23.0226
            32  N1a N    20.4414  -25.0931
            33  O6a O    18.0949  -23.7818
            34  O6a O    19.1991  -21.6423
BOND        35
            1     1   2 1
            2     2   3 1
            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 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15    3  14 1
            16    2  15 1
            17   16  17 1
            18   16  18 1
            19   16  19 1 #Up
            20   17  20 1
            21   17  21 2
            22   18  22 1
            23   20  23 1
            24   22  24 1
            25   22  25 2
            26   23  26 1
            27   24  27 1
            28   26  28 1
            29   26  29 2
            30   27  30 1
            31   30  31 1
            32   30  32 1 #Down
            33   31  33 1
            34   31  34 2
            35   19  15 1

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