KEGG   COMPOUND: C14798
Entry
C14798                      Compound                               

Name
(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
Formula
C15H17NO4S
Exact mass
307.0878
Mol weight
307.3648
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 17395796
ChEBI: 33999
NIKKAJI: J564.067I
KCF data

ATOM        21
            1   C8x C    19.4688  -18.8355
            2   C8x C    19.4688  -20.2362
            3   C8x C    20.6594  -20.9365
            4   C8y C    21.9200  -20.2362
            5   C8y C    21.9200  -18.8355
            6   C8x C    20.6594  -18.1352
            7   C2x C    23.1106  -20.9365
            8   C2x C    24.3011  -20.2362
            9   C1y C    24.3011  -18.8355
            10  C1y C    23.1106  -18.1352
            11  O1a O    23.1106  -16.8746
            12  S2a S    25.7717  -18.1352
            13  C1c C    26.9623  -15.6140
            14  C6a C    25.7016  -14.9836
            15  N1b N    28.1529  -14.9137
            16  C1b C    26.9623  -17.0147
            17  O6a O    25.7017  -13.5829
            18  C5a C    29.4135  -15.5440
            19  C1a C    30.6040  -14.8436
            20  O5a O    29.4135  -16.9446
            21  O6a O    24.5234  -15.6713
BOND        22
            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 2
            18   15  18 1
            19   18  19 1
            20   18  20 2
            21   16  12 1
            22   14  21 1

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