KEGG   COMPOUND: C14797Help
Entry
C14797                      Compound                               

Name
(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-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: 17395795
ChEBI: 33996
NIKKAJI: J564.068G
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    20.9529  -19.3573
            2   C8x C    20.9529  -20.7688
            3   C8x C    22.1527  -21.4746
            4   C8y C    23.4231  -20.7688
            5   C8y C    23.4231  -19.3573
            6   C8x C    22.1527  -18.6516
            7   C2x C    24.6229  -21.4746
            8   C2x C    25.8227  -20.7688
            9   C1y C    25.8227  -19.3573
            10  C1y C    24.6229  -18.6516
            11  S2a S    24.5529  -17.2412
            12  O1a O    27.0224  -18.6516
            13  C1c C    25.7527  -15.1239
            14  C6a C    24.4823  -14.4888
            15  N1b N    26.9524  -14.4182
            16  C1b C    25.7527  -16.5354
            17  O6a O    24.4829  -13.0772
            18  C5a C    28.2228  -15.0534
            19  C1a C    29.4226  -14.3476
            20  O5a O    28.2228  -16.4649
            21  O6a O    23.2825  -15.1945
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 #Up
            13    9  12 1 #Down
            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   14  21 1
            22   16  11 1

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