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Histidinyl-Histidine

July 21, 2017
Common Name

Histidinyl-Histidine Description

Histidinyl-Histidine is a dipeptied compoosed of two histidine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB28887 (Histidinyl-Histidine)

Synonyms

Value Source H-H DipeptideHMDB HH DipeptideHMDB His-hisHMDB Histidine histidine dipeptideHMDB Histidine-histidine dipeptideHMDB HistidinylhistidineHMDB L-Histidinyl-L-histidineHMDB Histidylhistidine, (DL)-(DL)-isomerMeSH

Chemical Formlia

C12H16N6O3 Average Molecliar Weight

292.2938 Monoisotopic Molecliar Weight

292.128388408 IUPAC Name

2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name

2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-3-(3H-imidazol-4-yl)propanoic acid CAS Registry Number

Not Available SMILES

NC(CC1=CN=CN1)C(=O)NC(CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

InChI Key

SGCGMORCWLEJNZ-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Dipeptides Alternative Parents

  • Histidine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • Fatty amides
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Carbonyl compounds
  • Organic oxides
  • Organopnictogen compounds
  • Monoalkylamines
  • Hydrocarbon derivatives

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty acyl
  • Fatty amide
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-4.64Extrapolated

    Predicted Properties

    Property Value Source Water Solubility2.02 mg/mLALOGPS logP-2.8ALOGPS logP-4.6ChemAxon logS-2.2ALOGPS pKa (Strongest Acidic)3.2ChemAxon pKa (Strongest Basic)8.04ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area149.78 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity72.92 m3·mol-1ChemAxon Polarizability28.75 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB28887 Metagene Link

    HMDB28887 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: 1-Naphthaleneacetic acid

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Kardys I, de Maat MP, Klaver CC, Despriet DD, Uitterlinden AG, Hofman A, de Jong PT, Witteman JC: Usefulness of combining complement factor H and C-reactive protein genetic profiles for predicting myocardial infarction (from the Rotterdam Study). Am J Cardiol. 2007 Aug 15;100(4):646-8. Epub 2007 Jun 26. [PubMed:17697822 ]
    2. Ali-Torres J, Rodriguez-Santiago L, Sodupe M, Rauk A: Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimers disease: an ab initio study. J Phys Chem A. 2011 Nov 17;115(45):12523-30. doi: 10.1021/jp2026626. Epub 2011 Jun 16. [PubMed:21678945 ]

    PMID: 7938165

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