KEGG   COMPOUND: C00146Help
Entry
C00146                      Compound                               

Name
Phenol;
Benzenol;
Hydroxybenzene;
Phenic acid;
Phenylic acid
Formula
C6H6O
Exact mass
94.0419
Mol weight
94.1112
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tyrosine metabolism
Chlorocyclohexane and chlorobenzene degradation
Benzoate degradation
Aminobenzoate degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Protein digestion and absorption
Module
M00548  
Benzene degradation, benzene => catechol
Enzyme
1.14.13.7       1.14.13.-       1.14.-.-        2.1.1.25        
2.4.2.55        2.7.9.-         3.1.1.2         4.1.1.61        
4.1.1.91        4.1.99.2
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C00146  Phenol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05B ANTIVARICOSE THERAPY
    C05BB Sclerosing agents for local injection
     C05BB05 Phenol
      D00033  Phenol (JP17/USP)
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AE Phenol and derivatives
     D08AE03 Phenol
      D00033  Phenol (JP17/USP)
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BX Other local anesthetics
     N01BX03 Phenol
      D00033  Phenol (JP17/USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA19 Phenol
      D00033  Phenol (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  25  Urogenital and anal organ agents
   255  Hemorrhoidal preparations
    2559  Others
     D00033  Phenol (JP17/USP); Liquefied phenol (JP17); Phenol for disinfection (JP17)
  26  Epidermides
   261  Antimicrobial agents
    2619  Others
     D00033  Phenol (JP17/USP); Liquefied phenol (JP17); Phenol for disinfection (JP17)
  27  Dental preparations
   273  Analgesics and sedatives
    2730  Analgesics and sedatives
     D00033  Phenol (JP17/USP); Liquefied phenol (JP17); Phenol for disinfection (JP17)
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   732  Germicides and disinfectants
    7322  Phenols and chlorophenols
     D00033  Phenol (JP17/USP); Liquefied phenol (JP17); Phenol for disinfection (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  71 Ear drops
   D00033  Phenol (JP17/USP)
 Agents for dental and stomatological use
  75 Toothache and pyorrhea remedies
   D00033  Phenol (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phenol
    D00033  Phenol (JP17/USP)
Pharmaceutical additives [BR:br08316]
 Antiseptic agent
  D00033  [001535] Liquefied phenol
  D00033  [001534] Phenol
 Preserving agent
  D00033  [001535] Liquefied phenol
  D00033  [001534] Phenol
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00033  Phenol
  D00033  Liquefied phenol
  D00033  Phenol for disinfection
Anesthetics, analgesics and anti-inflammatory drugs [br08369.html]
 Anesthetics
  D00033
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9519  Other antimicrobials for dermatologic use
    C00146  Phenol
BRITE hierarchy
Other DBs
CAS: 
108-95-2
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        7
            1   C8y C    24.5637  -18.4566
            2   C8x C    23.3622  -19.1533
            3   C8x C    25.7843  -19.1533
            4   O1a O    24.5637  -17.0698
            5   C8x C    23.3622  -20.5592
            6   C8x C    25.7843  -20.5592
            7   C8x C    24.5637  -21.2686
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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