KEGG   COMPOUND: C19562
Entry
C19562                      Compound                               
Name
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Formula
C20H16O4S
Exact mass
352.0769
Mol weight
352.4036
Structure
Reaction
R09444
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Enzyme
2.8.2.14
Other DBs
CAS: 80733-96-6
PubChem: 124490234
ChEBI: 82560
KCF data

ATOM        25
            1   C8x C    18.6887  -18.6888
            2   C8x C    18.6887  -20.0887
            3   C8x C    19.9010  -20.7886
            4   C8y C    21.1134  -20.0887
            5   C8y C    21.1134  -18.6888
            6   C8x C    19.9010  -17.9888
            7   C8y C    22.3258  -20.7886
            8   C8y C    23.5381  -20.0887
            9   C8y C    23.5381  -18.6888
            10  C8y C    22.3258  -17.9888
            11  C8x C    24.7506  -20.7886
            12  C8x C    25.9629  -20.0887
            13  C8y C    25.9629  -18.6888
            14  C8y C    24.7506  -17.9888
            15  C8x C    27.1752  -17.9888
            16  C8x C    27.1752  -16.5889
            17  C8x C    25.9629  -15.8890
            18  C8x C    24.7506  -16.5889
            19  C1a C    22.3258  -16.5889
            20  C1b C    22.3258  -22.1886
            21  O2a O    23.5401  -22.8896
            22  S4a S    24.9401  -22.8896
            23  O1d O    26.3401  -22.8896
            24  O1d O    24.9401  -21.4896
            25  O1d O    24.9401  -24.2896
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 2
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   13  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   14  18 1
            22   10  19 1
            23    7  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 2
            27   22  24 2
            28   22  25 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
Gene (341)   
   KEGG GENES (341)   
All databases (347)   

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