Record Information
Version1.0
Creation date2020-04-06 12:28:48 UTC
Update date2020-04-06 23:43:23 UTC
Primary IDFDB112148
Secondary Accession NumbersNot Available
Chemical Information
FooDB Namegamma-Glutamyllysine
Descriptiongamma-Glutamyllysine, also known as ge-K dipeptide or gglu-lys, 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. gamma-Glutamyllysine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make gamma-glutamyllysine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on gamma-Glutamyllysine.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
g-GlutamyllysineGenerator
Γ-glutamyllysineGenerator
gamma-Glutamate lysine dipeptideHMDB
gamma-Glutamate-lysine dipeptideHMDB
GE-K dipeptideHMDB
GEK dipeptideHMDB
GGlu-lysHMDB
L-gamma-Glutamyl-L-lysineHMDB
Γ-glu-lysHMDB
Γ-L-glu-L-lysHMDB
Γ-L-glutamyl-L-lysineHMDB
L-Γ-glutamyl-L-lysineHMDB
N2-Γ-glutamyllysineHMDB
N2-L-Γ-glutamyllysineHMDB
N2-L-Γ-glutamyl-L-lysineHMDB
gamma-Glu-lysHMDB
gamma-L-Glu-L-lysHMDB
gamma-L-Glutamyl-L-lysineHMDB
N2-gamma-GlutamyllysineHMDB
N2-L-gamma-GlutamyllysineHMDB
N2-L-gamma-Glutamyl-L-lysineHMDB
N2-Γ-L-glutamyl-L-lysineHMDB
N2-gamma-L-Glutamyl-L-lysineHMDB
(2S)-6-Amino-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}hexanoateHMDB
gamma-GlutamyllysineHMDB
Predicted Properties
PropertyValueSource
Water Solubility5.14 g/LALOGPS
logP-4ALOGPS
logP-6.1ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)1.89ChemAxon
pKa (Strongest Basic)10.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.74 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity65.9 m³·mol⁻¹ChemAxon
Polarizability28.05 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC11H21N3O5
IUPAC name(2S)-6-amino-2-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid
InChI IdentifierInChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-9(15)5-4-7(13)10(16)17/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChI KeyLNLLNTMHVMIMOG-YUMQZZPRSA-N
Isomeric SMILESNCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
Average Molecular Weight275.305
Monoisotopic Molecular Weight275.148120788
Classification
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
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid
  • Amino acid or derivatives
  • Carboxylic acid
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSgamma-Glutamyllysine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSgamma-Glutamyllysine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a6r-0290000000-1c04474f1ccb510bdf0bSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f8c-6890000000-54869040b128dc0227d8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0pc0-9200000000-b0ec4365e431d2855ffaSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0190000000-6560d1e645072ec84b74Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-1940000000-425d9c6388a7d31fc992Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a59-9200000000-911cc5b749356ccd15b5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-0090000000-3eba53a17f70acdf7173Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00dj-4890000000-b7f01dcb427282f74658Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9500000000-43e32fc2b26745c802a3Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference