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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:53 UTC
Update Date2020-02-26 21:42:31 UTC
HMDB IDHMDB0028890
Secondary Accession Numbers
  • HMDB28890
Metabolite Identification
Common NameHistidyllysine
DescriptionHistidyllysine is a dipeptide composed of histidine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Structure
Data?1582753351
Synonyms
ValueSource
Histidinyl-lysineChEBI
HistidyllysineChEBI
HKChEBI
L-His-L-lysChEBI
N(2)-L-Histidyl-L-lysineChEBI
N(alpha)-L-Histidyl-L-lysineChEBI
N(a)-L-Histidyl-L-lysineGenerator
N(Α)-L-histidyl-L-lysineGenerator
H-K dipeptideHMDB
HK dipeptideHMDB
His-LysHMDB
Histidine lysine dipeptideHMDB
Histidine-lysine dipeptideHMDB
HistidinyllysineHMDB
Histidyl-lysineHMDB
L-Histidinyl-L-lysineHMDB
L-Histidyl-L-lysineHMDB
N2-HistidinyllysineHMDB
N2-HistidyllysineHMDB
N2-L-Histidinyl-L-lysineHMDB
N2-L-Histidyl-L-lysineHMDB
Chemical FormulaC12H21N5O3
Average Molecular Weight283.332
Monoisotopic Molecular Weight283.164439556
IUPAC Name(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
Traditional Name(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
CAS Registry Number37700-85-9
SMILES
NCCCC[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O
InChI Identifier
InChI=1S/C12H21N5O3/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1
InChI KeyCZVQSYNVUHAILZ-UWVGGRQHSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassAnisoles
Direct ParentAnisoles
Alternative Parents
Substituents
  • Phenoxy compound
  • Anisole
  • Benzylamine
  • Dialkylarylamine
  • Methoxybenzene
  • Alkyl aryl ether
  • Aminopyrimidine
  • Monocyclic benzene moiety
  • Pyrimidine
  • Tetraalkylammonium salt
  • Heteroaromatic compound
  • Quaternary ammonium salt
  • Ether
  • Organoheterocyclic compound
  • Azacycle
  • Organic oxygen compound
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic salt
  • Organic cation
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-4.4Extrapolated
Predicted Properties
PropertyValueSource
Water Solubility6.91 g/LALOGPS
logP-3ALOGPS
logP-4ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area147.12 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity72.1 m³·mol⁻¹ChemAxon
Polarizability29.85 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Not Available
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDBMET01483
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound148224
PDB IDNot Available
ChEBI ID74052
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Adam M, Pohunkova H: [Collagen - its use as a biomaterial in orthopedics.]. Acta Chir Orthop Traumatol Cech. 1992;59(6):368-72. [PubMed:20438697 ]