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 search
Remark
Same as: D00097
Reaction
Pathway
map00360  Phenylalanine metabolism
map00621  Dioxin degradation
map00624  Polycyclic aromatic hydrocarbon degradation
map00626  Naphthalene degradation
map01053  Biosynthesis of siderophore group nonribosomal peptides
map01061  Biosynthesis of phenylpropanoids
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01220  Degradation of aromatic compounds
map04075  Plant hormone signal transduction
map04976  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.-         
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) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC08 Salicylic acid
      D00097  Salicylic acid (JP17/USP) <JP/US>
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 in Japan [BR:br08316]
 Antiseptic agent
  D00097  [001274] Salicylic acid
 Preserving agent
  D00097  [001274] Salicylic acid
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00097  Salicylic acid
  D00097  Salicylic acid spirit
Antiinfectives [br08350.html]
 Antifungals
  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: 4063
ChEBI: 16914 30762
ChEMBL: CHEMBL424
KNApSAcK: C00000206
PDB-CCD: SAL[PDBj]
3DMET: B00179
NIKKAJI: J2.370A
LinkDB All DBs
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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