KEGG   COMPOUND: C01455Help
Entry
C01455                      Compound                               

Name
Toluene;
Methylbenzene;
Toluol
Formula
C7H8
Exact mass
92.0626
Mol weight
92.1384
Structure
Mol fileKCF fileDB search
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.-       1.14.15.26      
1.14.15.-       4.1.99.11
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C01455  Toluene
BRITE hierarchy
Other DBs
CAS: 108-88-3
PubChem: 4632
ChEBI: 17578
ChEMBL: CHEMBL9113
PDB-CCD: MBN[PDBj]
3DMET: B00293
NIKKAJI: J2.868A
LinkDB All DBs
KCF data Show

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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