KEGG   COMPOUND: C00472
Entry
C00472                      Compound                               
Name
p-Benzoquinone;
Quinone;
Chinone;
2,5-Cyclohexadiene-1,4-dione;
1,4-Benzoquinone
Formula
C6H4O2
Exact mass
108.0211
Mol weight
108.0948
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
map05208  Chemical carcinogenesis - reactive oxygen species
Enzyme
1.1.-.-         1.4.-.-         1.6.5.6         1.8.5.10        
1.14.13.167     1.14.18.1
Other DBs
CAS: 106-51-4
PubChem: 3755
ChEBI: 16509
PDB-CCD: PLQ[PDBj]
3DMET: B01254
NIKKAJI: J5.052K
LinkDB
KCF data

ATOM        8
            1   C5x C    26.1800  -17.7933
            2   C2x C    24.9715  -17.0771
            3   C2x C    27.3950  -17.0771
            4   O5x O    26.1737  -19.1807
            5   C2x C    24.9715  -15.6701
            6   C2x C    27.3950  -15.6701
            7   C5x C    26.1800  -14.9795
            8   O5x O    26.1737  -13.5856
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 2
            6     5   7 1
            7     7   8 2
            8     6   7 1

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