Showing metabocard for Tyrosyl-Gamma-glutamate (BMDB0064129)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:42:29 UTC
Update Date2020-04-22 15:57:16 UTC
BMDB IDBMDB0064129
Secondary Accession Numbers
  • BMDB64129
Metabolite Identification
Common NameTyrosyl-Gamma-glutamate
DescriptionTyrosyl-Gamma-glutamate, also known as y-ge dipeptide or tyrosyl-g-glutamic acid, belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on Tyrosyl-Gamma-glutamate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Tyrosyl-g-glutamateGenerator
Tyrosyl-g-glutamic acidGenerator
Tyrosyl-gamma-glutamic acidGenerator
Tyrosyl-γ-glutamateGenerator
Tyrosyl-γ-glutamic acidGenerator
L-Tyrosyl-L-gamma-glutamateHMDB
Tyr-ggluHMDB
Tyrosine gamma-glutamate dipeptideHMDB
Tyrosine-gamma-glutamate dipeptideHMDB
Tyrosylgamma-glutamateHMDB
Y-ge dipeptideHMDB
YGE dipeptideHMDB
2-Amino-4-{[2-amino-3-(4-hydroxyphenyl)propanoyl]-C-hydroxycarbonimidoyl}butanoateHMDB
Chemical FormulaC14H19N3O5
Average Molecular Weight309.3178
Monoisotopic Molecular Weight309.132470733
IUPAC Name2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid
Traditional Name2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid
CAS Registry NumberNot Available
SMILES
NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20)
InChI KeyNHXCEHCKISFORA-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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 ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Glutamine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • Monocyclic benzene moiety
  • N-acyl-amine
  • Benzenoid
  • Carboxylic acid imide
  • Dicarboximide
  • Carboxylic acid imide, n-unsubstituted
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organonitrogen compound
  • Amine
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
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-2.1ALOGPS
logP-3.1ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)2.02ChemAxon
pKa (Strongest Basic)9.15ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.74 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity77.13 m³·mol⁻¹ChemAxon
Polarizability31.18 ųChemAxon
Number of Rings1ChemAxon
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 IDHMDB0029119
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112121
KNApSAcK IDNot Available
Chemspider ID35032830
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750790
PDB IDNot Available
ChEBI ID174962
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available