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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:54 UTC
Update Date2020-02-26 21:42:32 UTC
HMDB IDHMDB0028897
Secondary Accession Numbers
  • HMDB28897
Metabolite Identification
Common NameHistidyltyrosine
DescriptionHistidyltyrosine is a dipeptide composed of histidine and tyrosine. 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?1582753352
Synonyms
ValueSource
Histidinyl-tyrosineChEBI
HistidyltyrosineChEBI
HYChEBI
L-His-L-tyrChEBI
H-Y dipeptideHMDB
HY dipeptideHMDB
His-TyrHMDB
Histidine tyrosine dipeptideHMDB
Histidine-tyrosine dipeptideHMDB
HistidinyltyrosineHMDB
Histidyl-tyrosineHMDB
L-Histidinyl-L-tyrosineHMDB
L-Histidyl-L-tyrosineHMDB
N-HistidinyltyrosineHMDB
N-HistidyltyrosineHMDB
N-L-Histidinyl-L-tyrosineHMDB
N-L-Histidyl-L-tyrosineHMDB
Chemical FormulaC15H18N4O4
Average Molecular Weight318.333
Monoisotopic Molecular Weight318.132805076
IUPAC Name(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
CAS Registry Number35979-00-1
SMILES
N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)/t12-,13-/m0/s1
InChI KeyHTOOKGDPMXSJSY-STQMWFEESA-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
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Imidazolyl carboxylic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • Monocyclic benzene moiety
  • Fatty amide
  • Benzenoid
  • Fatty acyl
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Amino acid
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.62Extrapolated
Predicted Properties
PropertyValueSource
Water Solubility1.14 g/LALOGPS
logP-1.4ALOGPS
logP-2.4ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)3.3ChemAxon
pKa (Strongest Basic)7.83ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.33 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity81.39 m³·mol⁻¹ChemAxon
Polarizability31.76 ųChemAxon
Number of Rings2ChemAxon
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID449881
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound515713
PDB IDNot Available
ChEBI ID74059
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Wang DX, Wang N, Lu GC, Xu QC, Wang NG, Guan MZ: [Synthesis of tyrosine-related peptide and their effect on progesterone production]. Yao Xue Xue Bao. 1994;29(6):438-42. [PubMed:7992624 ]
  2. Scholten JD, Zimmerman KK, Oxender MG, Leonard D, Sebolt-Leopold J, Gowan R, Hupe DJ: Synergy between anions and farnesyldiphosphate competitive inhibitors of farnesyl:protein transferase. J Biol Chem. 1997 Jul 18;272(29):18077-81. [PubMed:9218438 ]