KEGG   COMPOUND: C14851
Entry
C14851                      Compound                               

Name
Benzo[a]pyrene-4,5-oxide;
Benzo[a]pyrene-4,5-epoxide
Formula
C20H12O
Exact mass
268.0888
Mol weight
268.3087
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.14.1       1.14.14.-       2.5.1.18
Other DBs
CAS: 37574-47-3
PubChem: 17395849
ChEBI: 34560
NIKKAJI: J9.301G
KCF data

ATOM        21
            1   C8y C    25.8182  -19.9251
            2   C8y C    27.0109  -19.2235
            3   C8y C    24.6253  -19.2235
            4   C8y C    25.8182  -21.3283
            5   C8y C    27.0109  -17.8203
            6   C8y C    28.2737  -19.9251
            7   C8y C    23.4326  -19.9251
            8   C8x C    24.6253  -17.8203
            9   C8x C    24.6253  -22.0300
            10  C1y C    27.0109  -22.0300
            11  C8x C    25.8182  -17.1186
            12  C8x C    28.2737  -17.1186
            13  C1y C    28.2737  -21.3283
            14  C8x C    29.4665  -19.2235
            15  C8y C    23.4326  -21.3283
            16  C8x C    22.1698  -19.2235
            17  C8x C    29.4665  -17.8203
            18  C8x C    22.2399  -22.0300
            19  C8x C    20.9770  -19.9251
            20  C8x C    20.9770  -21.3283
            21  O2x O    28.1834  -22.7155
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    7  16 1
            16   12  17 2
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 1
            24   19  20 1
            25   10  21 1
            26   13  21 1

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