Showing metabocard for Glutaminylglutamic acid (BMDB0063852)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:26:19 UTC
Update Date2020-04-22 15:55:31 UTC
BMDB IDBMDB0063852
Secondary Accession Numbers
  • BMDB63852
Metabolite Identification
Common NameGlutaminylglutamic acid
DescriptionGlutaminylglutamic acid, also known as QE or L-glutaminyl-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 Glutaminylglutamic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
L-GLN-L-GluChEBI
QEChEBI
GlutaminylglutamateGenerator
GLN-GluHMDB
L-Glutaminyl-L-glutamic acidHMDB
L-Glutaminyl-L-glutamateHMDB
N-Glutaminylglutamic acidHMDB
N-GlutaminylglutamateHMDB
N-L-Glutaminyl-L-glutamic acidHMDB
N-L-Glutaminyl-L-glutamateHMDB
Glutaminyl-glutamic acidHMDB
Glutaminyl-glutamateHMDB
Glutamine glutamic acid dipeptideHMDB
Glutamine glutamate dipeptideHMDB
Glutamine-glutamic acid dipeptideHMDB
Glutamine-glutamate dipeptideHMDB
Q-e DipeptideHMDB
QE dipeptideHMDB
Glutaminylglutamic acidHMDB, ChEBI
Chemical FormulaC10H17N3O6
Average Molecular Weight275.261
Monoisotopic Molecular Weight275.111735279
IUPAC Name(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChI KeyOWOFCNWTMWOOJJ-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
  • Glutamic acid or derivatives
  • Glutamine 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
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Amino acid
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • 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
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.6ALOGPS
logP-5.2ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area172.81 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity61.2 m³·mol⁻¹ChemAxon
Polarizability26.18 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 IDHMDB0028796
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111845
KNApSAcK IDNot Available
Chemspider ID5382986
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7020029
PDB IDNot Available
ChEBI ID73847
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available