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Showing Compound L-alpha-Glutamyl-L-lysine (FDB023334)

Record Information
Version1.0
Creation date2011-09-21 00:28:16 UTC
Update date2015-07-21 06:57:38 UTC
Primary IDFDB023334
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameL-alpha-Glutamyl-L-lysine
DescriptionGlutamyllysine, also known as E-K or L-glu-L-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. 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 glutamyllysine a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Glutamyllysine.
CAS Number5891-53-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
E-KChEBI
EKChEBI
L-Glu-L-lysChEBI
N2-a-Glutamyl-lysineHMDB
N2-alpha-Glutamyl-lysineHMDB
N2-L-a-Glutamyl-lysineHMDB
N2-L-a-GlutamyllysineHMDB
N2-L-alpha-GlutamyllysineHMDB
α-Glu-LysHMDB
α-L-Glu-L-LysHMDB
α-GlutamyllysineHMDB
α-L-Glutamyl-L-lysineHMDB
L-α-Glutamyl-L-lysineHMDB, Generator
N2-α-GlutamyllysineHMDB
N2-α-L-Glutamyl-L-lysineHMDB
N2-L-α-GlutamyllysineHMDB
N2-L-α-Glutamyl-L-lysineHMDB
alpha-Glu-LysHMDB
alpha-L-Glu-L-LysHMDB
alpha-GlutamyllysineHMDB
alpha-L-Glutamyl-L-lysineHMDB
L-alpha-Glutamyl-L-lysineHMDB
N2-alpha-GlutamyllysineHMDB
N2-alpha-L-Glutamyl-L-lysineHMDB
N2-L-alpha-Glutamyl-L-lysineHMDB
GlutamyllysineHMDB
Glu-LysHMDB
L-Glutamyl-L-lysineHMDB
N2-GlutamyllysineHMDB
N2-L-Glutamyl-L-lysineHMDB
Glutamyl-lysineHMDB
Glutamic acid lysine dipeptideHMDB
Glutamate lysine dipeptideHMDB
Glutamic acid-lysine dipeptideHMDB
Glutamate-lysine dipeptideHMDB
E-K dipeptideHMDB
EK dipeptideHMDB
N2-L-alpha-Glutamyl-lysineHMDB
L-a-Glutamyl-L-lysineGenerator, HMDB
L-alpha-glutamyl-L-Lysinehmdb
N2-a-glutamyl-lysinehmdb
N2-alpha-glutamyl-lysinehmdb
N2-L-a-glutamyl-Lysinehmdb
N2-L-alpha-glutamyl-Lysinehmdb
Predicted Properties
PropertyValueSource
Water Solubility5.13 g/LALOGPS
logP-3.9ALOGPS
logP-6.1ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.33ChemAxon
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.74 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity65.9 m³·mol⁻¹ChemAxon
Polarizability28.33 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC11H21N3O5
IUPAC name(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanoic acid
InChI IdentifierInChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
InChI KeyBBBXWRGITSUJPB-YUMQZZPRSA-N
Isomeric SMILESNCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Average Molecular Weight275.3015
Monoisotopic Molecular Weight275.148120797
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
  • Glutamic acid or derivatives
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid salt
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic salt
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Amine
  • Organic oxide
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic zwitterion
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Biological location:

Source:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
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-MSL-alpha-Glutamyl-L-lysine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0f89-7940000000-eca890c42ae6e7b1a500Spectrum
Predicted GC-MSL-alpha-Glutamyl-L-lysine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00ec-9312000000-2d9010243a6fb8c34f9aSpectrum
Predicted GC-MSL-alpha-Glutamyl-L-lysine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSL-alpha-Glutamyl-L-lysine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0290000000-53bb2cbe87e51cdc8c3d2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0uei-6980000000-2f0331667d540797338f2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9200000000-f22342ddd828b5d106772017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-0090000000-0d38cbef5f3e9b6ad2f32017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05c2-1790000000-01b3a430570ce2c6482b2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004j-6900000000-e52f2a49ad96634a219c2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004j-0690000000-0e960775d4beeef605ac2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f89-7970000000-4863aabdbd3b7a54ad3b2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052r-9100000000-15e321d845df9b1acad52021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-05fr-0090000000-1c9639c3ad4f25da3f582021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05i1-1970000000-4010465b012a24ce29612021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9600000000-1e5789d6c070ee5bee992021-09-22View Spectrum
NMRNot Available
ChemSpider ID5378736
ChEMBL IDCHEMBL190361
KEGG Compound IDC04700
Pubchem Compound ID7015703
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB04207
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