Record Information
Version1.0
Creation Date2016-10-03 18:23:47 UTC
Update Date2020-05-11 20:49:41 UTC
BMDB IDBMDB0011738
Secondary Accession Numbers
  • BMDB11738
Metabolite Identification
Common NameGamma-Glutamylglutamine
DescriptionN2-gamma-Glutamylglutamine, also known as gamma-L-glu-L-GLN, 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 small amount of articles have been published on N2-gamma-Glutamylglutamine.
Structure
Thumb
Synonyms
ValueSource
gamma-L-Glu-L-GLNChEBI
g-L-Glu-L-GLNGenerator
Γ-L-glu-L-GLNGenerator
N2-g-GlutamylglutamineGenerator
N2-Γ-glutamylglutamineGenerator
γ-Glu-GlnHMDB, Generator
γ-GlutamylglutamineHMDB, Generator
γ-L-Glutamyl-L-glutamineHMDB
L-γ-Glutamyl-L-glutamineHMDB
N2-L-γ-GlutamylglutamineHMDB
N2-L-γ-Glutamyl-L-glutamineHMDB
gamma-Glu-GlnHMDB, MeSH
gamma-GlutamylglutamineHMDB
gamma-L-Glutamyl-L-glutamineHMDB
L-gamma-Glutamyl-L-glutamineHMDB
N2-L-gamma-GlutamylglutamineHMDB
N2-L-gamma-Glutamyl-L-glutamineHMDB
N2-gamma-GlutamylglutamineHMDB
g-Glutamyl glutamineGenerator, HMDB
γ-glutamyl glutamineGenerator, HMDB
g-Glu-GlnGenerator, HMDB
g-GlutamylglutamineGenerator, HMDB
Chemical FormulaC10H17N3O6
Average Molecular Weight275.2585
Monoisotopic Molecular Weight275.111735291
IUPAC Name(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid
Traditional Name(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid
CAS Registry Number1466-50-8
SMILES
N[C@@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H17N3O6/c11-5(9(16)17)1-4-8(15)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
InChI KeyJBFYFLXEJFQWMU-WDSKDSINSA-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
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • N-acyl-l-glutamine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.6ALOGPS
logP-5ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)1.93ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area172.81 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity61.2 m³·mol⁻¹ChemAxon
Polarizability26.12 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Placenta
  • Prostate Tissue
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Prostate TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0011738
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028416
KNApSAcK IDNot Available
Chemspider ID133013
KEGG Compound IDC05283
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound150914
PDB IDNot Available
ChEBI ID73707
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available