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Histidinyl-Leucine

July 21, 2017
Common Name

Histidinyl-Leucine Description

Histidinyl-Leucine is a dipeptide composed of histidine and leucine. 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 HMDB28889 (Histidinyl-Leucine)

Synonyms

Value Source H-L DipeptideHMDB His-leuHMDB Histidine leucine dipeptideHMDB Histidine-leucine dipeptideHMDB HistidinylleucineHMDB HL DipeptideHMDB L-Histidinyl-L-leucineHMDB HistidylleucineMeSH

Chemical Formlia

C12H20N4O3 Average Molecliar Weight

268.3122 Monoisotopic Molecliar Weight

268.153540526 IUPAC Name

2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid Traditional Name

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

Not Available SMILES

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

InChI Identifier

InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)

InChI Key

MMFKFJORZBJVNF-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
  • Leucine 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
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Organopnictogen compounds

    • Substituents

  • Alpha-dipeptide
  • Histidine or derivatives
  • Leucine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty amide
  • Fatty acyl
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Carboxylic acid
  • Azacycle
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen 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-2.85Extrapolated

    Predicted Properties

    Property Value Source Water Solubility3.3 mg/mLALOGPS logP-2ALOGPS logP-2.7ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)3.61ChemAxon pKa (Strongest Basic)8.02ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area121.1 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity69.03 m3·mol-1ChemAxon Polarizability28.03 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

    HMDB28889 Metagene Link

    HMDB28889 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Bathophenanthroline

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Nath M, Singh H, Eng G, Song X: New diorganotin(IV) derivatives of dipeptides: synthesis and characteristic spectral studies. Spectrochim Acta A Mol Biomol Spectrosc. 2008 Nov 15;71(2):529-36. doi: 10.1016/j.saa.2008.01.006. Epub 2008 Jan 11. [PubMed:18289925 ]
    2. Reddy PR, Manjula P: Mixed-ligand copper(II)-phenanthroline-dipeptide complexes: synthesis, characterization, and DNA-cleavage properties. Chem Biodivers. 2007 Mar;4(3):468-80. [PubMed:17372949 ]
    3. Wang X, Fukuoka S, Tsukigawara R, Nagata K, Higuchi M: Electric-field-enhanced oriented cobalt coordinated peptide monolayer and its electrochemical properties. J Colloid Interface Sci. 2013 Jan 15;390(1):54-61. doi: 10.1016/j.jcis.2012.08.079. Epub 2012 Oct 8. [PubMed:23102909 ]
    4. Reddy PR, Rao KS: Ternary nickel(II) complexes as hydrolytic DNA-cleavage agents. Chem Biodivers. 2006 Feb;3(2):231-44. [PubMed:17193262 ]
    5. Grima M, Anjuere J, Ingert C, Coquard C, Steger J, Barthelmebs M, Imbs JL: [Effect of a non-antihypertensive dose of ramipril on the plasma and tissue renin-angiotensin system in 27 TGR (mRen2) rats]. Arch Mal Coeur Vaiss. 2001 Aug;94(8):805-12. [PubMed:11575208 ]

    PMID: 26306764

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