KEGG   COMPOUND: C01467Help
Entry
C01467                      Compound                               

Name
3-Cresol;
m-Cresol;
3-Hydroxytoluene;
3-Methylphenol
Formula
C7H8O
Exact mass
108.0575
Mol weight
108.1378
Structure
Mol fileKCF fileDB search
Remark
Same as: D04951
Reaction
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.13.7       1.14.13.-       4.1.1.52
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Antiseptic agent
  D04951  [103907] m-Cresol
 Preserving agent
  D04951  [103907] m-Cresol
BRITE hierarchy
Other DBs
CAS: 108-39-4
PubChem: 4642
ChEBI: 17231
ChEMBL: CHEMBL298312
KNApSAcK: C00035128
PDB-CCD: CRS[PDBj]
3DMET: B00294
NIKKAJI: J1.186J
KCF data Show

ATOM        8
            1   C8x C    22.7551  -16.1289
            2   C8y C    22.7551  -17.5366
            3   C8y C    21.5329  -15.4313
            4   C8x C    21.5329  -18.2470
            5   C1a C    23.9581  -18.2277
            6   C8x C    20.3298  -16.1289
            7   O1a O    21.5264  -14.0429
            8   C8x C    20.3298  -17.5366
BOND        8
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 2
            8     6   8 1

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