KEGG   COMPOUND: C00146
Entry
C00146                      Compound                               
Name
Phenol;
Benzenol;
Hydroxybenzene;
Phenic acid;
Phenylic acid
Formula
C6H6O
Exact mass
94.0419
Mol weight
94.1112
Structure
Remark
Same as: D00033
Reaction
R00728 R00815 R01238 R01239 R01241 R05625 R07697 R09539
R10042 R10043 R10608 R11653 R12759
Pathway
map00350  Tyrosine metabolism
map00361  Chlorocyclohexane and chlorobenzene degradation
map00362  Benzoate degradation
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
map04974  Protein digestion and absorption
map05208  Chemical carcinogenesis - reactive oxygen species
Module
M00548  Benzene degradation, benzene => catechol
Network
nt06251  CYP-mediated ROS formation (cancer)
Enzyme
1.14.13.7       1.14.13.244     1.14.14.20      1.14.-.-        
2.1.1.25        2.4.2.55        2.7.1.238       3.1.1.2         
4.1.1.61        4.1.1.91        4.1.99.2
Brite
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 (JP18/USP) <JP>
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AE Phenol and derivatives
     D08AE03 Phenol
      D00033  Phenol (JP18/USP) <JP>
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BX Other local anesthetics
     N01BX03 Phenol
      D00033  Phenol (JP18/USP) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA19 Phenol
      D00033  Phenol (JP18/USP) <JP>
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 (JP18/USP); Liquefied phenol (JP18); Phenol for disinfection (JP18)
  26  Epidermides
   261  Antimicrobial agents
    2619  Others
     D00033  Phenol (JP18/USP); Liquefied phenol (JP18); Phenol for disinfection (JP18)
  27  Dental preparations
   273  Analgesics and sedatives
    2730  Analgesics and sedatives
     D00033  Phenol (JP18/USP); Liquefied phenol (JP18); Phenol for disinfection (JP18)
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   732  Germicides and disinfectants
    7322  Phenols and chlorophenols
     D00033  Phenol (JP18/USP); Liquefied phenol (JP18); Phenol for disinfection (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  71 Ear drops
   D00033  Phenol (JP18/USP)
 Agents for dental and stomatological use
  75 Toothache and pyorrhea remedies
   D00033  Phenol (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phenol
    D00033  Phenol (JP18/USP)
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9519  Other antimicrobials for dermatologic use
    C00146  Phenol
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG00301  Phenol
     D00033  Phenol
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00033  Phenol
  D00033  Liquefied phenol
  D00033  Phenol for disinfection
Other DBs
CAS: 108-95-2
PubChem: 3446
ChEBI: 15882
KNApSAcK: C00002664
PDB-CCD: IPH[PDBj]
3DMET: B00040
NIKKAJI: J2.873H
LinkDB
KCF data

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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