KEGG   COMPOUND: C07535
Entry
C07535                      Compound                               
Name
Benzo[a]pyrene;
Benzpyrene
Formula
C20H12
Exact mass
252.0939
Mol weight
252.3093
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01120  Microbial metabolism in diverse environments
map05204  Chemical carcinogenesis - DNA adducts
map05207  Chemical carcinogenesis - receptor activation
map05208  Chemical carcinogenesis - reactive oxygen species
Network
nt06227  Nuclear receptor signaling (cancer)
nt06250  DNA adduct formation (cancer)
nt06251  CYP-mediated ROS formation (cancer)
Enzyme
1.14.12.12      1.14.12.-       1.14.14.1       1.14.14.-       
1.14.-.-
Other DBs
CAS: 50-32-8
PubChem: 9738
ChEBI: 29865
PDB-CCD: W62[PDBj]
NIKKAJI: J2.297G
LinkDB
KCF data

ATOM        20
            1   C8y C    24.0100  -18.1300
            2   C8y C    25.2000  -17.4300
            3   C8y C    22.8200  -17.4300
            4   C8y C    24.0100  -19.5300
            5   C8y C    25.2000  -16.0300
            6   C8y C    26.4600  -18.1300
            7   C8y C    21.6300  -18.1300
            8   C8x C    22.8200  -16.0300
            9   C8x C    22.8200  -20.2300
            10  C8x C    25.2000  -20.2300
            11  C8x C    24.0100  -15.3300
            12  C8x C    26.4600  -15.3300
            13  C8x C    26.4600  -19.5300
            14  C8x C    27.6500  -17.4300
            15  C8y C    21.6300  -19.5300
            16  C8x C    20.3700  -17.4300
            17  C8x C    27.6500  -16.0300
            18  C8x C    20.4400  -20.2300
            19  C8x C    19.1800  -18.1300
            20  C8x C    19.1800  -19.5300
BOND        24
            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 2
            19   18  20 2
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1

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