Record Information
Version1.0
Creation date2015-10-09 22:32:01 UTC
Update date2017-01-19 02:36:33 UTC
FoodComEx IDPC000698
FoodDB RecordFDB022997
Chemical Information
Namealpha-Hydroxyhippuric acid
DescriptionAlpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. (PMID 10598689, 6511847, 4077949). It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965) [HMDB]
CAS Number16555-77-4
Structure
Thumb
Synonyms
SynonymSource
(Benzoylamino)hydroxyacetic acidhmdb
2-(Benzoylamino)-2-hydroxyacetateGenerator
2-(Benzoylamino)-2-hydroxyacetic acidhmdb
2-BenzamidooxyacetateGenerator
2-Benzamidooxyacetic acidChEBI
a-HydroxybenzoylglycineGenerator
a-Hydroxyhippuric acidhmdb
alpha-Hydroxybenzoylglycinehmdb
alpha-Hydroxyhippuric acidhmdb
Benzamidohydroxyacetic acidhmdb
α-hydroxybenzoylglycineGenerator
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)
InChI KeyGCWCVCCEIQXUQU-UHFFFAOYSA-N
Isomeric SMILESOC(NC(=O)C1=CC=CC=C1)C(O)=O
Average Molecular Weight195.1721
Monoisotopic Molecular Weight195.053157781
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentHippuric acids
Alternative Parents
Substituents
  • Hippuric acid
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Benzoyl
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Alkanolamine
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 8400AA
MetaSci HMDB0002404
Sigma-Aldrich HMDB0002404