KEGG   COMPOUND: C01407
Entry
C01407                      Compound                               
Name
Benzene
Formula
C6H6
Exact mass
78.047
Mol weight
78.1118
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
map05208  Chemical carcinogenesis - reactive oxygen species
Module
M00547  Benzene/toluene degradation, benzene => catechol / toluene => 3-methylcatechol
M00548  Benzene degradation, benzene => catechol
Network
nt06251  CYP-mediated ROS formation (cancer)
Enzyme
1.14.12.3       1.14.13.244
Other DBs
CAS: 71-43-2
PubChem: 4596
ChEBI: 16716
PDB-CCD: BNZ[PDBj]
3DMET: B00285
NIKKAJI: J2.375B
KCF data

ATOM        6
            1   C8x C    20.9141  -15.4681
            2   C8x C    20.9141  -16.8719
            3   C8x C    22.1137  -14.7726
            4   C8x C    22.1137  -17.5802
            5   C8x C    23.3324  -15.4681
            6   C8x C    23.3324  -16.8719
BOND        6
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   6 2

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