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2-Furoylglycine (PC000317)

Record Information
Version1.0
Creation date2015-10-09 22:29:51 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000317
FoodDB RecordFDB022046
Chemical Information
Name2-Furoylglycine
Description2-Furoylglycine 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. Dietary studies show that 2-Furoylglycine precursors are of exogenous origin. Most probably from furan derivatives found in food prepared by strong heating. This may explain the absence of 2-furoylglycine in urine of breastfed children (PMID 4630229) [HMDB]
CAS Number5657-19-2
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
[[(Furan-2-yl)carbonyl]amino]acetatehmdb
[[(Furan-2-yl)carbonyl]amino]acetic acidhmdb
2-Furoylglycinehmdb
Furfuroylglycinehmdb
Furoylglycinehmdb
N-(2-Furanylcarbonyl)glycinehmdb
N-(2-Furoyl)glycinehmdb
N-(carboxymethyl)-2-Furancarboxamidehmdb
N-2-furoyl-Glycinehmdb
Pyromucuratehmdb
Pyromucuric acidhmdb
Chemical FormulaC7H7NO4
IUPAC name2-[(furan-2-yl)formamido]acetic acid
InChI IdentifierInChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChI KeyKSPQDMRTZZYQLM-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CNC(=O)C1=CC=CO1
Average Molecular Weight169.1348
Monoisotopic Molecular Weight169.037507717
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • 2-heteroaryl carboxamide
  • Furoic acid or derivatives
  • Furan
  • Heteroaromatic compound
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Oxacycle
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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 1 g
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 5742AE
Toronto Research Chemicals F865225