Showing metabocard for gamma-Glutamylthreonine (BMDB0064160)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:44:20 UTC
Update Date2020-05-05 18:38:50 UTC
BMDB IDBMDB0064160
Secondary Accession Numbers
  • BMDB64160
Metabolite Identification
Common Namegamma-Glutamylthreonine
Descriptiongamma-Glutamylthreonine, also known as γ-L-glutamyl-L-threonine or L-gamma-glu-L-THR, 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 gamma-Glutamylthreonine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(2S)-2-Amino-5-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-5-oxopentanoic acidChEBI
(2S)-2-Amino-5-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-5-oxopentanoateGenerator
g-GlutamylthreonineGenerator
Γ-glutamylthreonineGenerator
L-gamma-Glu-L-THRHMDB
L-g-Glu-L-THRHMDB
L-Γ-glu-L-THRHMDB
g-Glu-THRHMDB
Γ-glu-THRHMDB
Γ-L-glu-L-THRHMDB
Γ-L-glutamyl-L-threonineHMDB
L-Γ-glutamyl-L-threonineHMDB
N-Γ-glutamylthreonineHMDB
N-L-Γ-glutamylthreonineHMDB
N-L-Γ-glutamyl-L-threonineHMDB
gamma-Glu-THRHMDB
gamma-L-Glu-L-THRHMDB
gamma-L-Glutamyl-L-threonineHMDB
L-gamma-Glutamyl-L-threonineHMDB
N-gamma-GlutamylthreonineHMDB
N-L-gamma-GlutamylthreonineHMDB
N-L-gamma-Glutamyl-L-threonineHMDB
N-Γ-L-glutamyl-L-threonineHMDB
N-gamma-L-Glutamyl-L-threonineHMDB
gamma-GlutamylthreonineHMDB, ChEBI
Chemical FormulaC9H16N2O6
Average Molecular Weight248.235
Monoisotopic Molecular Weight248.100836243
IUPAC Name(2S)-2-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Traditional Name(2S)-2-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
C[C@@H](O)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-6(13)3-2-5(10)8(14)15/h4-5,7,12H,2-3,10H2,1H3,(H,11,13)(H,14,15)(H,16,17)/t4-,5+,7+/m1/s1
InChI KeyGWNXFCYUJXASDX-ZDLURKLDSA-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
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Hydroxy acid
  • N-acyl-amine
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Fatty acid
  • Amino acid
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
StatusDetected 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-3.4ALOGPS
logP-4.5ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.89ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.95 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity54.55 m³·mol⁻¹ChemAxon
Polarizability23.29 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
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0029159
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112151
KNApSAcK IDNot Available
Chemspider ID29273165
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53861142
PDB IDNot Available
ChEBI ID133747
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available