Posted inUncategorized

Phenylalanyl-Histidine

July 21, 2017
Common Name

Phenylalanyl-Histidine Description

Phenylalanyl-Histidine is a dipeptide composed of phenylalanine 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

Structure for HMDB28997 (Phenylalanyl-Histidine)

Synonyms

Value Source F-H DipeptideHMDB FH DipeptideHMDB L-Phenylalanyl-L-histidineHMDB Phe-hisHMDB Phenylalanine histidine dipeptideHMDB Phenylalanine-histidine dipeptideHMDB PhenylalanylhistidineHMDB

Chemical Formlia

C15H18N4O3 Average Molecliar Weight

302.3284 Monoisotopic Molecliar Weight

302.137890462 IUPAC Name

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

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

Not Available SMILES

NC(CC1=CC=CC=C1)C(=O)NC(CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C15H18N4O3/c16-12(6-10-4-2-1-3-5-10)14(20)19-13(15(21)22)7-11-8-17-9-18-11/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)

InChI Key

OHUXOEXBXPZKPT-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

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

    • Substituents

  • Alpha-dipeptide
  • Phenylalanine or derivatives
  • Histidine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Monocyclic benzene moiety
  • Benzenoid
  • Fatty amide
  • Fatty acyl
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Amine
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • 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-2.26Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.7 mg/mLALOGPS logP-1.6ALOGPS logP-2.3ChemAxon logS-2.6ALOGPS pKa (Strongest Acidic)3.47ChemAxon pKa (Strongest Basic)8.03ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area121.1 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity79.98 m3·mol-1ChemAxon Polarizability30.81 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

    HMDB28997 Metagene Link

    HMDB28997 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Oxymatrine

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Osz K, Varnagy K, Suli-Vargha H, Csampay A, Sanna D, Micera G, Sovago I: Acid-base properties and copper(II) complexes of dipeptides containing histidine and additional chelating bis(imidazol-2-yl) residues. J Inorg Biochem. 2004 Jan;98(1):24-32. [PubMed:14659629 ]

    PMID: 24849926

    Last updated on