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2-Phenylglycine (PC000601)

Record Information
Version1.0
Creation date2015-10-09 22:31:29 UTC
Update date2017-01-19 02:36:29 UTC
FoodComEx IDPC000601
FoodDB RecordFDB022909
Chemical Information
Name2-Phenylglycine
Description2-Phenylglycine is a metabolite described in normal human urine (PMID 14473597) and plasma (PMID 5888801) [HMDB]
CAS Number2835-06-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+/-)-a-phenylglycinehmdb
(+/-)-alpha-phenylglycinehmdb
2-amino-2-phenylacetatehmdb
2-amino-2-phenylacetic acidhmdb
2-phenyl-glycinehmdb
a-amino-a-ToluateGenerator
a-amino-a-Toluic acidGenerator
a-AminobenzeneacetateGenerator
a-Aminobenzeneacetic acidGenerator
a-AminophenylacetateGenerator
a-Aminophenylacetic acidGenerator
alpha-amino-alpha-toluatehmdb
alpha-amino-alpha-toluic acidhmdb
alpha-amino-benzeneacetatehmdb
alpha-amino-benzeneacetic acidhmdb
alpha-aminobenzeneacetatehmdb
alpha-aminobenzeneacetic acidhmdb
alpha-aminophenylacetatehmdb
alpha-aminophenylacetic acidhmdb
alpha-phenylgycinehmdb
amino-Phenyl-acetateGenerator
amino-Phenyl-acetic acidChEBI
amino(phenyl)acetatehmdb
amino(phenyl)acetic acidhmdb
aminophenylacetic acidhmdb
DL-2-phenyl-glycinehmdb
DL-2-PhenylglycineChEBI
DL-a-aminophenylacetatehmdb
DL-a-aminophenylacetic acidhmdb
DL-a-phenylglycinehmdb
DL-alpha-aminophenylacetatehmdb
DL-alpha-aminophenylacetic acidhmdb
DL-alpha-phenylaminoacetatehmdb
DL-alpha-phenylaminoacetic acidhmdb
DL-alpha-phenylglycinehmdb
DL-phenylglycinehmdb
DL-α-phenylglycineGenerator
α-amino-α-toluateGenerator
α-amino-α-toluic acidGenerator
α-aminobenzeneacetateGenerator
α-aminobenzeneacetic acidGenerator
α-aminophenylacetateGenerator
α-aminophenylacetic acidGenerator
Chemical FormulaC8H9NO2
IUPAC name2-amino-2-phenylacetic acid
InChI IdentifierInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
InChI KeyZGUNAGUHMKGQNY-UHFFFAOYSA-N
Isomeric SMILESNC(C(O)=O)C1=CC=CC=C1
Average Molecular Weight151.1626
Monoisotopic Molecular Weight151.063328537
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Aralkylamine
  • Monocyclic benzene moiety
  • Benzenoid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • 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 2 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 J93694
AKSci M348
Glentham GM3708
Toronto Research Chemicals P327120