KEGG   COMPOUND: C01455
Entry
C01455                      Compound                               
Name
Toluene;
Methylbenzene;
Toluol
Formula
C7H8
Exact mass
92.0626
Mol weight
92.1384
Structure
Reaction
Pathway
map00623  Toluene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00418  Toluene degradation, anaerobic, toluene => benzoyl-CoA
M00538  Toluene degradation, toluene => benzoate
M00547  Benzene/toluene degradation, benzene => catechol / toluene => 3-methylcatechol
Enzyme
1.14.12.11      1.14.13.236     1.14.13.243     1.14.13.-       
1.14.15.26      4.1.1.119       4.1.99.11
Other DBs
CAS: 108-88-3
PubChem: 4632
ChEBI: 17578
PDB-CCD: MBN[PDBj]
3DMET: B00293
NIKKAJI: J2.868A
LinkDB
KCF data

ATOM        7
            1   C8y C    28.8337  -16.2166
            2   C8x C    27.6322  -16.9133
            3   C8x C    30.0543  -16.9133
            4   C1a C    28.8337  -14.8298
            5   C8x C    27.6322  -18.3192
            6   C8x C    30.0543  -18.3192
            7   C8x C    28.8337  -19.0286
BOND        7
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     6   7 1

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