3XH

3-Hydroxyhippuric acid

Created: 2008-08-26
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of 3XH
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Chemical Component Summary

Name3-Hydroxyhippuric acid
SynonymsN-[(3-hydroxyphenyl)carbonyl]glycine
Systematic Name (OpenEye OEToolkits)2-[(3-hydroxyphenyl)carbonylamino]ethanoic acid
FormulaC9 H9 N O4
Molecular Weight195.172
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(c1cc(O)ccc1)NCC(=O)O
SMILESCACTVS3.341OC(=O)CNC(=O)c1cccc(O)c1
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)O)C(=O)NCC(=O)O
Canonical SMILESCACTVS3.341 OC(=O)CNC(=O)c1cccc(O)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cc(c1)O)C(=O)NCC(=O)O
InChIInChI1.03 InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKeyInChI1.03 XDOFWFNMYJRHEW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07069 
Namem-Hydroxyhippuric acid
Groups experimental
Synonyms
  • 2-[(3-hydroxyphenyl)formamido]acetic acid
  • N-m-Hydroxylbenzoylglycine
  • 3-hydroxyhippuric acid
  • m-Hydroxyhippuric acid
Categories
  • Acids, Carbocyclic
  • Amides
  • Benzamides and benzamide derivatives
  • Benzene Derivatives
  • Benzoates
CAS number1637-75-8

Drug Targets

NameTarget SequencePharmacological ActionActions
KynureninaseMEPSSLELPADTVQRIAAELKCHPTDERVALHLDEEDKLRHFRECFYIPK...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
PubChem 450268
ChEMBL CHEMBL447627
ChEBI CHEBI:70824