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Histidinyl-Arginine

July 21, 2017
Common Name

Histidinyl-Arginine Description

Histidinyl-Arginine is a dipeptide composed of histidine and arginine. 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 HMDB28879 (Histidinyl-Arginine)

Synonyms

Value Source H-R DipeptideHMDB His-argHMDB Histidine arginine dipeptideHMDB Histidine-arginine dipeptideHMDB HistidinylarginineHMDB HR DipeptideHMDB L-Histidinyl-L-arginineHMDB

Chemical Formlia

C12H21N7O3 Average Molecliar Weight

311.3402 Monoisotopic Molecliar Weight

311.170587573 IUPAC Name

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

2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)

InChI Key

NIKBMHGRNAPJFW-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
  • Amino acids
  • Secondary carboxylic acid amides
  • Guanidines
  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Carboximidamides
  • Carbonyl compounds
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • 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
  • Guanidine
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Monocarboxylic acid or derivatives
  • Carboximidamide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Carbonyl group
  • Primary amine
  • Organonitrogen compound
  • Organooxygen 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-4.45Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.21 mg/mLALOGPS logP-3.5ALOGPS logP-4.4ChemAxon logS-3.2ALOGPS pKa (Strongest Acidic)3.41ChemAxon pKa (Strongest Basic)12.03ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area183 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity88.78 m3·mol-1ChemAxon Polarizability31.99 Å3ChemAxon Number of Rings1ChemAxon 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

    HMDB28879 Metagene Link

    HMDB28879 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: GJ103 (sodium salt)

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Thorne BA, Viveros OH, Thomas G: Expression and processing of mouse proopiomelanocortin in bovine adrenal chromaffin cells. A model system to study tissue-specific prohormone processing. J Biol Chem. 1991 Jul 25;266(21):13607-15. [PubMed:1856197 ]
    2. Prell JS, OBrien JT, Steill JD, Oomens J, Williams ER: Structures of protonated dipeptides: the role of arginine in stabilizing salt bridges. J Am Chem Soc. 2009 Aug 19;131(32):11442-9. doi: 10.1021/ja901870d. [PubMed:19624125 ]

    PMID: 10528148

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