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Arginyl-Histidine

July 24, 2017
Common Name

Arginyl-Histidine Description

Arginyl-Histidine is a dipeptide composed of arginine and histidine. 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

Synonyms

Value Source Arg-hisHMDB Arginine histidine dipeptideHMDB Arginine-histidine dipeptideHMDB ArginylhistidineHMDB L-Arginyl-L-histidineHMDB R-H DipeptideHMDB RH DipeptideHMDB

Chemical Formlia

C12H21N7O3 Average Molecliar Weight

311.3402 Monoisotopic Molecliar Weight

311.170587573 IUPAC Name

2-(2-amino-5-carbamimidamidopentanamido)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name

2-(2-amino-5-carbamimidamidopentanamido)-3-(3H-imidazol-4-yl)propanoic acid CAS Registry Number

Not Available SMILES

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

InChI Identifier

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

InChI Key

BNODVYXZAAXSHW-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
  • N-acyl amines
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Guanidines
  • Propargyl-type 1,3-dipolar organic compounds
  • Azacyclic compounds
  • Carboximidamides
  • Carboxylic acids
  • Monocarboxylic acids and derivatives
  • 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
  • N-acyl-amine
  • Fatty acyl
  • Fatty amide
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Carboxamide group
  • Amino acid
  • Amino acid or derivatives
  • Guanidine
  • Secondary carboxylic acid amide
  • 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
  • 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-4.45Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.22 mg/mLALOGPS logP-3.5ALOGPS logP-4.5ChemAxon logS-3.2ALOGPS pKa (Strongest Acidic)3.37ChemAxon pKa (Strongest Basic)11.98ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count7ChemAxon Polar Surface Area183 Å2ChemAxon Rotatable Bond Count9ChemAxon Refractivity88.78 m3·mol-1ChemAxon Polarizability31.49 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

    HMDB28711 Metagene Link

    HMDB28711 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Idebenone

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Lee YM, Cui Y, Konig J, Risch A, Jager B, Drings P, Bartsch H, Keppler D, Nies AT: Identification and functional characterization of the natural variant MRP3-Arg1297His of human multidrug resistance protein 3 (MRP3/ABCC3). Pharmacogenetics. 2004 Apr;14(4):213-23. [PubMed:15083066 ]

    PMID: 25643294

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