KEGG   COMPOUND: C19490
Entry
C19490                      Compound                               
Name
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene;
trans-DMBA-3,4-dihydrodiol
Formula
C20H18O2
Exact mass
290.1307
Mol weight
290.3557
Structure
Reaction
R09417 R09418
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Enzyme
1.14.14.1       3.3.2.9
Other DBs
CAS: 68162-13-0
PubChem: 124490162
ChEBI: 82518
KCF data

ATOM        22
            1   C8x C    18.0600  -19.0400
            2   C8x C    18.0600  -20.4400
            3   C8x C    19.2500  -21.1400
            4   C8y C    20.5100  -20.4400
            5   C8y C    20.5100  -19.0400
            6   C8x C    19.2500  -18.3400
            7   C8y C    21.7000  -21.1400
            8   C8y C    22.8900  -20.4400
            9   C8y C    22.8900  -19.0400
            10  C8y C    21.7000  -18.3400
            11  C8x C    24.1500  -21.1400
            12  C8x C    25.3400  -20.4400
            13  C8y C    25.3400  -19.0400
            14  C8y C    24.1500  -18.3400
            15  C1y C    26.5300  -18.3400
            16  C1y C    26.5300  -16.9400
            17  C2x C    25.3400  -16.2400
            18  C2x C    24.1500  -16.9400
            19  C1a C    21.7000  -16.9400
            20  C1a C    21.7000  -22.5400
            21  O1a O    27.7200  -16.2400
            22  O1a O    27.7200  -19.0400
BOND        25
            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 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   14  18 1
            22   10  19 1
            23    7  20 1
            24   16  21 1 #Down
            25   15  22 1 #Up

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
Chemical reaction (4)   
   KEGG ENZYME (2)   
   KEGG REACTION (2)   
Gene (1397)   
   KEGG GENES (1397)   
All databases (1406)   

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