Showing metabocard for 5-L-Glutamyl-taurine (BMDB0004195)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 23:08:28 UTC
Update Date2020-05-21 16:28:36 UTC
BMDB IDBMDB0004195
Secondary Accession Numbers
  • BMDB04195
Metabolite Identification
Common Name5-L-Glutamyl-taurine
Description5-L-Glutamyl-taurine, also known as 5-l-glutamyl-taurine or 5-l-glutamyl-taurine, 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. 5-L-Glutamyl-taurine is possibly soluble (in water) and a very strong basic compound (based on its pKa). 5-L-Glutamyl-taurine exists in all living organisms, ranging from bacteria to humans. 5-L-Glutamyl-taurine can be biosynthesized from taurine; which is catalyzed by the enzyme Gamma-glutamyltransferase 6. In cattle, 5-L-glutamyl-taurine is involved in the metabolic pathway called the taurine and hypotaurine metabolism pathway.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
5-Glutamyl-taurineChEBI
gamma-GlutamyltaurineChEBI
gamma-GTChEBI
gamma-L-GlutamyltaurineChEBI
GlutaurinaChEBI
GlutaurinumChEBI
LitoralonChEBI
GlutaurineKegg
g-GlutamyltaurineGenerator
Γ-glutamyltaurineGenerator
g-GTGenerator
Γ-GTGenerator
g-L-GlutamyltaurineGenerator
Γ-L-glutamyltaurineGenerator
alpha-Glutamyl taurineHMDB
gamma-L-Glutamyl-taurineHMDB
GlautaurineHMDB
GlutaurinHMDB
Glutaurin, (D)-isomerHMDB
alpha-GlutamyltaurineHMDB
Chemical FormulaC7H14N2O6S
Average Molecular Weight254.261
Monoisotopic Molecular Weight254.05725688
IUPAC Name(2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid
Traditional Name(2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid
CAS Registry Number56488-60-9
SMILES
N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O
InChI Identifier
InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
InChI KeyWGXUDTHMEITUBO-YFKPBYRVSA-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
  • Alpha-amino acid
  • L-alpha-amino acid
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Organosulfonic acid
  • Sulfonyl
  • Alkanesulfonic acid
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary amine
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • 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-2.3ALOGPS
logP-3.6ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)-1.3ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area146.79 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity52.69 m³·mol⁻¹ChemAxon
Polarizability23.24 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 IDHMDB0004195
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023332
KNApSAcK IDNot Available
Chemspider ID62003
KEGG Compound IDC05844
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGlutaurine
METLIN IDNot Available
PubChem Compound68759
PDB IDNot Available
ChEBI ID27694
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Glutathione hydrolase 6
General function:
Not Available
Specific function:
Cleaves glutathione conjugates.
Gene Name:
GGT6
Uniprot ID:
A7YWM1
Molecular weight:
49626.0
Reactions
Taurine + A (5-L-glutamyl)-peptide → 5-L-Glutamyl-taurine + Peptidedetails