Showing metabocard for 4-(Glutamylamino) butanoate (BMDB0012161)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:33:25 UTC
Update Date2020-04-22 15:48:48 UTC
BMDB IDBMDB0012161
Secondary Accession Numbers
  • BMDB12161
Metabolite Identification
Common Name4-(Glutamylamino) butanoate
Description4-(Glutamylamino) butanoate, also known as g-L-glutamyl-g-aminobutyrate or gamma glutamyl gaba, belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 4-(Glutamylamino) butanoate exists in all living species, ranging from bacteria to plants to humans. Based on a literature review very few articles have been published on 4-(Glutamylamino) butanoate.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
4-(Glutamylamino)butanoateChEBI
4-(L-Glutam-5-ylamino)butanoic acidChEBI
gamma Glutamyl gabaChEBI
gamma-Glutamyl-gabaChEBI
gamma-L-Glu-gamma-abuChEBI
gamma-L-Glutamyl-gamma-aminobutyric acidChEBI
GlugabaChEBI
GlutamylgabaChEBI
4-(gamma-L-Glutamylamino)butanoateKegg
gamma-Glutamyl-gamma-aminobutyrateKegg
4-(Glutamylamino)butanoic acidGenerator
4-(L-Glutam-5-ylamino)butanoateGenerator
g Glutamyl gabaGenerator
Γ glutamyl gabaGenerator
g-Glutamyl-gabaGenerator
Γ-glutamyl-gabaGenerator
g-L-Glu-g-abuGenerator
Γ-L-glu-γ-abuGenerator
g-L-Glutamyl-g-aminobutyrateGenerator
g-L-Glutamyl-g-aminobutyric acidGenerator
gamma-L-Glutamyl-gamma-aminobutyrateGenerator
Γ-L-glutamyl-γ-aminobutyrateGenerator
Γ-L-glutamyl-γ-aminobutyric acidGenerator
4-(g-L-Glutamylamino)butanoateGenerator
4-(g-L-Glutamylamino)butanoic acidGenerator
4-(gamma-L-Glutamylamino)butanoic acidGenerator
4-(Γ-L-glutamylamino)butanoateGenerator
4-(Γ-L-glutamylamino)butanoic acidGenerator
g-Glutamyl-g-aminobutyrateGenerator
g-Glutamyl-g-aminobutyric acidGenerator
gamma-Glutamyl-gamma-aminobutyric acidGenerator
Γ-glutamyl-γ-aminobutyrateGenerator
Γ-glutamyl-γ-aminobutyric acidGenerator
4-(Glutamylamino) butanoic acidGenerator
4-(L-gamma-glutamylamino)ButanoateHMDB
4-(L-gamma-glutamylamino)Butanoic acidHMDB
gamma-Glu-gabaHMDB
gamma-Glutamyl-gamma aminobutyric acidHMDB
N(5)-(3-Carboxypropyl)-L-glutamineHMDB
Chemical FormulaC9H16N2O5
Average Molecular Weight232.2337
Monoisotopic Molecular Weight232.105921632
IUPAC Name(2S)-2-amino-4-[(3-carboxypropyl)carbamoyl]butanoic acid
Traditional Nameglugaba
CAS Registry Number5105-96-4
SMILES
N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChI KeyMKYPKZSGLSOGLL-LURJTMIESA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlutamine and derivatives
Alternative Parents
Substituents
  • Glutamine or derivatives
  • Gamma amino acid or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • 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-3.4ALOGPS
logP-3.9ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)2.3ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity53.55 m³·mol⁻¹ChemAxon
Polarizability23.13 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 IDHMDB0012161
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028817
KNApSAcK IDNot Available
Chemspider ID21865667
KEGG Compound IDC15767
BioCyc IDCPD-9000
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23724570
PDB IDNot Available
ChEBI ID49260
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available