KEGG   COMPOUND: C14796Help
Entry
C14796                      Compound                               

Name
(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
Formula
C15H17NO4S
Exact mass
307.0878
Mol weight
307.3648
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 17395794
ChEBI: 33994
NIKKAJI: J564.066K
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    19.7487  -18.8354
            2   C8x C    19.7487  -20.2361
            3   C8x C    20.9393  -20.9364
            4   C8y C    22.1999  -20.2361
            5   C8y C    22.1999  -18.8354
            6   C8x C    20.9393  -18.1351
            7   C2x C    23.3905  -20.9364
            8   C2x C    24.5810  -20.2361
            9   C1y C    24.5810  -18.8354
            10  C1y C    23.3905  -18.1351
            11  S2a S    25.7716  -18.1351
            12  C1c C    26.9622  -15.6139
            13  C6a C    25.7015  -14.9835
            14  N1b N    28.1528  -14.9136
            15  C1b C    26.9622  -17.0146
            16  O6a O    25.7016  -13.5829
            17  C5a C    29.4134  -15.5439
            18  C1a C    30.6039  -14.8435
            19  O5a O    29.4134  -16.9445
            20  O6a O    24.5233  -15.6712
            21  O1a O    23.3905  -16.7300
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    9  11 1 #Down
            13   12  13 1
            14   12  14 1
            15   12  15 1 #Up
            16   13  16 2
            17   14  17 1
            18   17  18 1
            19   17  19 2
            20   15  11 1
            21   13  20 1
            22   10  21 1 #Up

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