PHB

P-HYDROXYBENZOIC ACID

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of PHB
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Chemical Component Summary

NameP-HYDROXYBENZOIC ACID
Systematic Name (OpenEye OEToolkits)4-oxidanylbenzoic acid
FormulaC7 H6 O3
Molecular Weight138.121
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)c1ccc(O)cc1
SMILESCACTVS3.370OC(=O)c1ccc(O)cc1
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1C(=O)O)O
Canonical SMILESCACTVS3.370 OC(=O)c1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1C(=O)O)O
InChIInChI1.03 InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyInChI1.03 FJKROLUGYXJWQN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04242 
Name4-hydroxybenzoic acid
Groups experimental
Synonyms
  • 4-carboxyphenol
  • p-Hydroxybenzoic acid
  • 4-hydroxybenzoic acid
  • p-salicylic acid
Categories
  • Acids, Carbocyclic
  • Benzene Derivatives
  • Benzoates
  • Hydroxy Acids
  • Hydroxybenzoates
CAS number99-96-7

Drug Targets

NameTarget SequencePharmacological ActionActions
p-hydroxybenzoate hydroxylaseMKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQ...unknown
Chorismate--pyruvate lyaseMSHPALTQLRALRYCKEIPALDPQLLDWLLLEDSMTKRFEQQGKTVSVTM...unknown
p-hydroxybenzoate hydroxylaseMKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQ...unknown
4-hydroxybenzoyl-CoA thioesteraseMHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL441343
PubChem 135, 3702506
ChEMBL CHEMBL441343
ChEBI CHEBI:30763
CCDC/CSD FADHEZ, CUKNUT01, EPUPUB02, EPAMAK, EXAMUM01, EPUPUB01, CABQIF, DOWQIQ, CUKNUT, EMAWEV, CIRNIC, ACESOS, EXAMUM02, FEQXIJ01, GATTIF, AWABUW, FEQXIJ, HONFIB, EBONAN, GUPWIY, ADETOT, EXAMUM, CIRNAU, DAVPEW, HONTAG, DIKDEH, EPUQEM, BICQUB, BOYDEB, HAGWET, DUSKUY, HONSUZ01, GEQRIF, EPUQIQ, CIRNEY01, DOMHEU, EGIQAO, CIRMOH, EPUPUB, CIRNEY, CASPET, AYOJOP, DUKJUR, DOXFED, BICQUB01, EYURIC, FEQXIJ03, AVEJIX01, APUWOA
COD 4500731, 2221883, 2226900, 7204662, 7217045, 2238810, 2000436, 1556760, 1556766, 2210745