KEGG   COMPOUND: C14793
Entry
C14793                      Compound                               

Name
(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene
Formula
C20H25N3O7S
Exact mass
451.1413
Mol weight
451.4934
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
PubChem: 17395791
ChEBI: 33993
NIKKAJI: J2.789.363E
KCF data

ATOM        31
            1   C8x C    19.1006  -19.5883
            2   C8x C    19.1006  -20.9875
            3   C8x C    20.2899  -21.6871
            4   C8y C    21.5492  -20.9875
            5   C8y C    21.5492  -19.5883
            6   C8x C    20.2899  -18.8886
            7   C2x C    22.7386  -21.6871
            8   C2x C    23.9280  -20.9875
            9   C1y C    23.9280  -19.5883
            10  C1y C    22.7386  -18.8886
            11  O1a O    25.1173  -18.8886
            12  S2a S    22.7386  -17.4893
            13  C1c C    23.9979  -15.3205
            14  C5a C    22.7386  -14.6208
            15  N1b N    25.1873  -14.5509
            16  C1b C    23.9979  -16.7197
            17  N1b N    21.5492  -15.3904
            18  O5a O    22.7386  -13.2216
            19  C5a C    26.4466  -15.2505
            20  C1b C    20.3599  -14.6908
            21  C1b C    27.6360  -14.4809
            22  O5a O    26.4466  -16.6497
            23  C6a C    19.1705  -15.4604
            24  C1b C    28.8253  -15.1106
            25  O6a O    17.9112  -14.7608
            26  O6a O    19.1705  -16.8596
            27  C1c C    30.0147  -14.3410
            28  C6a C    31.2740  -15.0406
            29  N1a N    30.0147  -12.9417
            30  O6a O    32.3934  -14.2710
            31  O6a O    31.2740  -16.5098
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            13   13  14 1
            14   13  15 1
            15   13  16 1 #Up
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   23  26 2
            26   24  27 1
            27   27  28 1
            28   27  29 1 #Down
            29   28  30 1
            30   28  31 2
            31   16  12 1
            32   10  12 1 #Up

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