KEGG   COMPOUND: C14849
Entry
C14849                      Compound                               
Name
Benzo[a]pyrene-9,10-oxide;
Benzo[a]pyrene-9,10-epoxide
Formula
C20H12O
Exact mass
268.0888
Mol weight
268.31
Structure
Reaction
R07079 R07086
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Enzyme
1.14.14.1       1.14.14.-
Other DBs
CAS: 36504-66-2
PubChem: 17395847
ChEBI: 34564
NIKKAJI: J54.529E
LinkDB
KCF data

ATOM        21
            1   C8y C    25.8484  -20.3139
            2   C8y C    27.0393  -19.6133
            3   C8y C    24.6574  -19.6133
            4   C8y C    25.8484  -21.7149
            5   C8y C    27.0393  -18.2123
            6   C8y C    28.3002  -20.3139
            7   C8y C    23.4665  -20.3139
            8   C8x C    24.6574  -18.2123
            9   C8x C    24.6574  -22.4155
            10  C8x C    27.0393  -22.4155
            11  C8x C    25.8484  -17.5117
            12  C8x C    28.3002  -17.5117
            13  C8x C    28.3002  -21.7149
            14  C8x C    29.4911  -19.6133
            15  C8y C    23.4665  -21.7149
            16  C1y C    22.2056  -19.6133
            17  C8x C    29.4911  -18.2123
            18  C2x C    22.2756  -22.4155
            19  C1y C    21.0147  -20.3139
            20  C2x C    21.0147  -21.7149
            21  O2x O    21.0000  -18.9000
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16   12  17 1
            17   15  18 1
            18   16  19 1
            19   18  20 2
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1
            25   19  21 1
            26   16  21 1

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