Glutamyltyrosine (CHEM025894)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-25 22:40:02 UTC
Update Date2016-11-09 01:18:10 UTC
Accession NumberCHEM025894
Identification
Common NameGlutamyltyrosine
ClassSmall Molecule
DescriptionA dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
alpha-Glu-tyrChEBI
alpha-GlutamyltyrosineChEBI
alpha-L-Glu-L-tyrChEBI
E-YChEBI
EYChEBI
L-Glu-L-tyrChEBI
a-Glu-tyrGenerator
Α-glu-tyrGenerator
a-GlutamyltyrosineGenerator
Α-glutamyltyrosineGenerator
a-L-Glu-L-tyrGenerator
Α-L-glu-L-tyrGenerator
Α-L-glutamyl-L-tyrosineHMDB
L-Α-glutamyl-L-tyrosineHMDB
N-Α-glutamyltyrosineHMDB
N-Α-L-glutamyl-L-tyrosineHMDB
N-L-Α-glutamyltyrosineHMDB
N-L-Α-glutamyl-L-tyrosineHMDB
alpha-L-Glutamyl-L-tyrosineHMDB
L-alpha-Glutamyl-L-tyrosineHMDB
N-alpha-GlutamyltyrosineHMDB
N-alpha-L-Glutamyl-L-tyrosineHMDB
N-L-alpha-GlutamyltyrosineHMDB
N-L-alpha-Glutamyl-L-tyrosineHMDB
NSC 523821HMDB
Glu-tyrHMDB
L-Glutamyl-L-tyrosineHMDB
N-GlutamyltyrosineHMDB
N-L-Glutamyl-L-tyrosineHMDB
Glutamyl-tyrosineHMDB
Glutamic acid tyrosine dipeptideHMDB
Glutamate tyrosine dipeptideHMDB
Glutamic acid-tyrosine dipeptideHMDB
Glutamate-tyrosine dipeptideHMDB
e-Y dipeptideHMDB
EY dipeptideHMDB
GlutamyltyrosineHMDB, ChEBI
Chemical FormulaC14H18N2O6
Average Molecular Mass310.306 g/mol
Monoisotopic Mass310.116 g/mol
CAS Registry NumberNot Available
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
SMILES[H][C@](N)(CCC(O)=O)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O
InChI IdentifierInChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/t10-,11-/m0/s1
InChI KeyYSWHPLCDIMUKFE-QWRGUYRKSA-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
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Glutamic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Amino fatty acid
  • Phenol
  • Hydroxy fatty acid
  • N-acyl-amine
  • Monocyclic benzene moiety
  • Fatty amide
  • Benzenoid
  • Fatty acyl
  • Dicarboxylic acid or derivatives
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Primary aliphatic amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.93 g/LALOGPS
logP-2.4ALOGPS
logP-2.7ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)8.41ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.95 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity75.18 m³·mol⁻¹ChemAxon
Polarizability30.55 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01qc-1893000000-42a2d03158c20993cf24Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-3920000000-1a0f42d212bd87cb6284Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9800000000-52e593b73bc5ddb14c58Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0489000000-297e54e5f9b715b4f48bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0apj-1981000000-8ea330f053166dbb4198Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-05x0-7900000000-1a6c36340aa0bf007486Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03ei-0924000000-80698348d87e008f6caeSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001r-9500000000-924656cb075bc0f1a518Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9100000000-554e8f46397a2fecfb46Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a59-0928000000-076b81c9f3a5937c40e1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0059-2920000000-78558e667e343e5a5227Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9600000000-f8a49b0c75633b5d5615Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0028831
FooDB IDFDB005571
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID449883
ChEBI ID73513
PubChem Compound ID515717
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Jeffrey RF, MacDonald TM, Lee MR: A comparison of the renal actions of gamma-L-glutamyl-L-dopa and gamma-L-glutamyl-L-tyrosine in normal man. Clin Sci (Lond). 1988 Jan;74(1):37-40.
2. Saville MK, Houslay MD: The role of polybasic compounds in determining the tyrosyl phosphorylation of calmodulin by the human insulin receptor. Cell Signal. 1993 Nov;5(6):709-25.
3. Ichishima E, Yamane A, Nitta T, Kinoshita M, Nikkuni S: Production of a new type of acid carboxypeptidase of molds of the Aspergillus niger group. Appl Microbiol. 1973 Sep;26(3):327-31.
4. Sadiq S, Berndt TJ, Nath KA, Knox FG: Effect of gamma-L-glutamyl-L-dopa on phosphate excretion. J Lab Clin Med. 2000 Jan;135(1):52-6.
5. Izaddoost M, Harris BG, Gracy RW: Structure and toxicity of alkaloids and amino acids of Sophora secundiflora. J Pharm Sci. 1976 Mar;65(3):352-4.
6. Kwok CF, Jap TS, Ho LT: Changes of insulin receptor in aortic endothelial cells from diabetic rats. Diabetes Res. 1990 May;14(1):27-31.
7. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016.