Showing metabocard for Glutamylthreonine (BMDB0063878)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:27:50 UTC
Update Date2020-04-22 15:55:41 UTC
BMDB IDBMDB0063878
Secondary Accession Numbers
  • BMDB63878
Metabolite Identification
Common NameGlutamylthreonine
DescriptionGlutamylthreonine, also known as L-glu-L-THR or E-T, 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 Glutamylthreonine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
E-TChEBI
ETChEBI
L-Glu-L-THRChEBI
e-T DipeptideHMDB
ET dipeptideHMDB
Glu-THRHMDB
Glutamate threonine dipeptideHMDB
Glutamate-threonine dipeptideHMDB
L-Glutamyl-L-threonineHMDB
Α-glu-THRHMDB
Α-L-glu-L-THRHMDB
Α-glutamylthreonineHMDB
Α-L-glutamyl-L-threonineHMDB
L-Α-glutamyl-L-threonineHMDB
N-Α-glutamylthreonineHMDB
N-Α-L-glutamyl-L-threonineHMDB
N-L-Α-glutamylthreonineHMDB
N-L-Α-glutamyl-L-threonineHMDB
alpha-Glu-THRHMDB
alpha-L-Glu-L-THRHMDB
alpha-GlutamylthreonineHMDB
alpha-L-Glutamyl-L-threonineHMDB
L-alpha-Glutamyl-L-threonineHMDB
N-alpha-GlutamylthreonineHMDB
N-alpha-L-Glutamyl-L-threonineHMDB
N-L-alpha-GlutamylthreonineHMDB
N-L-alpha-Glutamyl-L-threonineHMDB
N-GlutamylthreonineHMDB
N-L-Glutamyl-L-threonineHMDB
Glutamyl-threonineHMDB
Glutamic acid threonine dipeptideHMDB
Glutamic acid-threonine dipeptideHMDB
GlutamylthreonineHMDB
Chemical FormulaC9H16N2O6
Average Molecular Weight248.235
Monoisotopic Molecular Weight248.100836243
IUPAC Name(4S)-4-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5+,7+/m1/s1
InChI KeyJSIQVRIXMINMTA-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
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amino fatty acid
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Hydroxy acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid
  • Primary amine
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Alcohol
  • 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
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-4.7ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.2ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.95 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity54.55 m³·mol⁻¹ChemAxon
Polarizability23.49 ųChemAxon
Number of Rings0ChemAxon
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 IDHMDB0028829
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111871
KNApSAcK IDNot Available
Chemspider ID5365660
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6998031
PDB IDNot Available
ChEBI ID73510
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available