Showing metabocard for Phenylalanylglutamic acid (BMDB0064022)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:36:14 UTC
Update Date2020-04-22 15:56:36 UTC
BMDB IDBMDB0064022
Secondary Accession Numbers
  • BMDB64022
Metabolite Identification
Common NamePhenylalanylglutamic acid
DescriptionPhenylalanylglutamic acid, also known as FE or N-L-phenylalanyl-L-glutamate, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review a significant number of articles have been published on Phenylalanylglutamic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
FEChEBI
L-Phe-L-gluChEBI
N-L-Phenylalanyl-L-glutamic acidChEBI
PhenylalanylglutamateChEBI
N-L-Phenylalanyl-L-glutamateGenerator
F-e DipeptideHMDB
FE dipeptideHMDB
L-Phenylalanyl-L-glutamateHMDB
L-Phenylalanyl-L-glutamic acidHMDB
L-alpha-Phenylalanyl-L-glutamic acidHMDB
L-Α-phenylalanyl-L-glutamic acidHMDB
N-(3-Phenyl-L-alanyl)-L-glutamic acidHMDB
N-(3-Phenyl-L-alanyl)glutamic acidHMDB
N-(3-Phenylalanyl)glutamic acidHMDB
N-PhenylalanylglutamateHMDB
N-Phenylalanylglutamic acidHMDB
Phe-gluHMDB
Phenylalanine glutamate dipeptideHMDB
Phenylalanine glutamic acid dipeptideHMDB
Phenylalanine-glutamate dipeptideHMDB
Phenylalanine-glutamic acid dipeptideHMDB
Phenylalanyl-glutamateHMDB
Phenylalanyl-glutamic acidHMDB
Phenylalanylglutamic acidHMDB, ChEBI
Chemical FormulaC14H18N2O5
Average Molecular Weight294.307
Monoisotopic Molecular Weight294.121571688
IUPAC Name(2S)-2-[(2S)-2-amino-3-phenylpropanamido]pentanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-phenylpropanamido]pentanedioic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C14H18N2O5/c15-10(8-9-4-2-1-3-5-9)13(19)16-11(14(20)21)6-7-12(17)18/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11-/m0/s1
InChI KeyJXWLMUIXUXLIJR-QWRGUYRKSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Phenylalanine or derivatives
  • Glutamic acid or derivatives
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Aralkylamine
  • Monocyclic benzene moiety
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Benzenoid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.3ALOGPS
logP-2.4ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)3.31ChemAxon
pKa (Strongest Basic)8.01ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity73.2 m³·mol⁻¹ChemAxon
Polarizability29.07 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0028994
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112014
KNApSAcK IDNot Available
Chemspider ID133206
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151134
PDB IDNot Available
ChEBI ID74712
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available