KEGG   COMPOUND: C00805Help
Entry
C00805                      Compound                               

Name
Salicylate;
o-Hydroxybenzoic acid;
Salicylic acid
Formula
C7H6O3
Exact mass
138.0317
Mol weight
138.1207
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Phenylalanine metabolism
Dioxin degradation
Polycyclic aromatic hydrocarbon degradation
Naphthalene degradation
Biosynthesis of siderophore group nonribosomal peptides
Biosynthesis of phenylpropanoids
Biosynthesis of plant hormones
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Biosynthesis of antibiotics
Degradation of aromatic compounds
Plant hormone signal transduction
Bile secretion
Module
M00534  
Naphthalene degradation, naphthalene => salicylate
M00638  
Salicylate degradation, salicylate => gentisate
Enzyme
1.2.1.65        1.2.1.-         1.14.13.1       1.14.13.172     
1.14.13.-       2.1.1.274       3.1.1.55        3.7.1.8         
4.1.1.91        4.1.1.-         4.2.99.21
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AE Other antifungals for topical use
     D01AE12 Salicylic acid
      D00097  Salicylic acid (JP17/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC08 Salicylic acid
      D00097  Salicylic acid (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   265  Antiparasitic dermatosis agents
    2652  Salicylic acids for external use
     D00097  Salicylic acid (JP17/USP)
   266  Emollients
    2661  Organic acids
     D00097  Salicylic acid (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  56 Purulent skin remedies
   D00097  Salicylic acid (JP17/USP)
  58 Ringworm drugs
   D00097  Salicylic acid (JP17/USP)
  59 Skin emollient (incl. pus extrusion)
   D00097  Salicylic acid (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Salicylic acid
    D00097  Salicylic acid (JP17/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Salicylic acid
    D00097  Salicylic acid (JP17/USP)
Pharmaceutical additives [BR:br08316]
 Antiseptic agent
  D00097  [001274] Salicylic acid
 Preserving agent
  D00097  [001274] Salicylic acid
Cytochrome P450 interactions [BR:br08309]
 Transporter inhibitors
  OAT2
   Salicylic acid
    D00097  Salicylic acid (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00097  Salicylic acid
  D00097  Salicylic acid spirit
Antifungals [br08352.html]
 D00097
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9519  Other antimicrobials for dermatologic use
    C00805  Salicylate
  956  Bath and disinfectants preparations
   9562  Disinfectants preparations
    C00805  Salicylate
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9929  Other agents for disinfections
    C00805  Salicylate
BRITE hierarchy
Other DBs
CAS: 
69-72-7
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C8y C    25.1668  -17.0718
            2   C8y C    26.3896  -17.7698
            3   C8x C    23.9631  -17.7698
            4   C6a C    25.2303  -15.6826
            5   C8x C    26.3896  -19.1783
            6   O1a O    27.5933  -17.0718
            7   C8x C    23.9631  -19.1783
            8   O6a O    26.4403  -14.9847
            9   O6a O    24.0202  -14.9910
            10  C8x C    25.1668  -19.8890
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  10 2

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