Record Information
Version1.0
Creation date2015-10-09 22:30:22 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000383
FoodDB RecordFDB010505
Chemical Information
NameN-(2-Hydroxybenzoyl)glycine
DescriptionConstituent of milk Salicyluric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:; acyl-CoA + glycine < -- > CoA + N-acylglycine; The induction of the salicyluric acid formation is one of the saturable pathways of salicylate elimination.; The formation of the methyl ester of salicyluric acid is observed during the quantitation of salicyluric acid and other salicylate metabolites in urine by high-pressure liquid chromatography. This methyl ester formation causes artificially low values for salicyluric acid and high values for salicylic acid.; (PMID: 6101164, 6857178). N-(2-Hydroxybenzoyl)glycine is found in milk and milk products.
CAS Number487-54-7
Structure
Thumb
Synonyms
SynonymSource
((2-hydroxybenzoyl)amino)acetic acidbiospider
(2-hydroxybenzamido)acetic acidbiospider
(2-Hydroxybenzoyl)glycinebiospider
[(2-Hydroxybenzoyl)amino]acetatebiospider
[(2-Hydroxybenzoyl)amino]acetic acidbiospider
2-Hydroxybenzamidoacetic aciddb_source
2-hydroxybenzoylaminoacetatebiospider
2-hydroxybenzoylaminoacetic acidbiospider
2-Hydroxybenzoylglycinebiospider
2-Hydroxyhippuratebiospider
2-Hydroxyhippuric acidbiospider
Glycine, N-(2-hydroxybenzoyl)-biospider
Glycine, N-(2-hydroxybenzoyl)- (9CI)biospider
Glycine, n-salicyloyl-biospider
Hippuric acid, o-hydroxy-biospider
N-(2-Hydroxybenzoyl)-glycinebiospider
N-o-hydroxybenzoylglycinebiospider
N-salicyloylglycinebiospider
O-hydroxy-hippuratebiospider
O-hydroxy-hippuric acidbiospider
O-HydroxyhippateGenerator
O-Hydroxyhippic acidGenerator
O-hydroxyhippuratebiospider
O-hydroxyhippuric acidbiospider
o-Hydroxyhippuric acid, 8CIdb_source
Ortho-hydroxyhippuratebiospider
Ortho-hydroxyhippuric acidbiospider
Salicylglycinebiospider
Salicyloylaminoacetic aciddb_source
Salicyloylglycinedb_source
Salicyluratebiospider
Salicyluric aciddb_source
Chemical FormulaC9H9NO4
IUPAC name2-[(2-hydroxyphenyl)formamido]acetic acid
InChI IdentifierInChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChI KeyONJSZLXSECQROL-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CNC(=O)C1=CC=CC=C1O
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 or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Salicylic acid or derivatives
  • Salicylamide
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Vinylogous acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.95HANSCH,C ET AL. (1995)
Experimental Water SolubilityNot Available
Melting PointMp 170-172°DFC
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 50 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
MetaSci HMDB0000840
Tokyo Chemical Industry HMDB0000840
Toronto Research Chemicals H942885