KEGG   COMPOUND: C14792
Entry
C14792                      Compound                               
Name
(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene
Formula
C20H25N3O7S
Exact mass
451.1413
Mol weight
451.50
Structure
Reaction
R07004 R07008
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
2.5.1.18
Other DBs
PubChem: 17395790
NIKKAJI: J2.789.353H
LinkDB
KCF data

ATOM        31
            1   C8x C    17.1182  -19.0821
            2   C8x C    17.1182  -20.4852
            3   C8x C    18.3108  -21.1867
            4   C8y C    19.5735  -20.4852
            5   C8y C    19.5735  -19.0821
            6   C8x C    18.3108  -18.3806
            7   C2x C    20.7661  -21.1867
            8   C2x C    21.9587  -20.4852
            9   C1y C    21.9587  -19.0821
            10  C1y C    20.7661  -18.3806
            11  O1a O    20.7661  -17.1179
            12  S2a S    23.3613  -18.2406
            13  C1c C    24.5539  -15.7151
            14  C5a C    23.2911  -15.0837
            15  N1b N    25.7465  -15.0136
            16  C1b C    24.5539  -17.1182
            17  N1b N    22.0985  -15.7853
            18  O5a O    23.2913  -13.6807
            19  C5a C    27.0092  -15.6450
            20  C1b C    20.9059  -15.1539
            21  C1b C    28.2018  -14.9434
            22  O5a O    27.0092  -17.0480
            23  C6a C    19.7134  -15.8554
            24  C1b C    29.3944  -15.5748
            25  O6a O    18.4506  -15.2240
            26  O6a O    19.7134  -17.2585
            27  C1c C    30.5870  -14.8031
            28  C6a C    31.8498  -15.5046
            29  N1a N    30.5870  -13.4001
            30  O6a O    32.9722  -14.7330
            31  O6a O    31.8498  -16.9077
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   10  11 1 #Down
            13    9  12 1 #Up
            14   13  14 1
            15   13  15 1
            16   13  16 1 #Up
            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 #Down
            30   28  30 1
            31   28  31 2
            32   16  12 1

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