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Isoleucyl-Leucine

July 21, 2017
Common Name

Isoleucyl-Leucine Description

Isoleucyl-Leucine is a dipeptide composed of isoleucine 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 HMDB28911 (Isoleucyl-Leucine)

Synonyms

Value Source I-L dipeptideHMDB IL dipeptideHMDB Ile-leuHMDB Isoleucine leucine dipeptideHMDB Isoleucine-leucine dipeptideHMDB IsoleucylleucineHMDB L-Isoleucyl-L-leucineHMDB

Chemical Formlia

C12H24N2O3 Average Molecliar Weight

244.3306 Monoisotopic Molecliar Weight

244.178692644 IUPAC Name

2-(2-amino-3-methylpentanamido)-4-methylpentanoic acid Traditional Name

2-(2-amino-3-methylpentanamido)-4-methylpentanoic acid CAS Registry Number

Not Available SMILES

CCC(C)C(N)C(=O)NC(CC(C)C)C(O)=O

InChI Identifier

InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)

InChI Key

JWBXCSQZLLIOCI-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

  • Leucine and derivatives
  • Isoleucine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Methyl-branched fatty acids
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Leucine or derivatives
  • Isoleucine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Branched fatty acid
  • Methyl-branched fatty acid
  • N-acyl-amine
  • Fatty amide
  • Fatty acid
  • Fatty acyl
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Detected 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-0.79Extrapolated

    Predicted Properties

    Property Value Source Water Solubility3.16 mg/mLALOGPS logP-0.96ALOGPS logP-0.79ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)4.11ChemAxon pKa (Strongest Basic)8.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area92.42 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity65.06 m3·mol-1ChemAxon Polarizability27.05 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available Biofluid Locations

  • Saliva

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details SalivaDetected but not Quantified Adlit (>18 years old)Male

    Normal

  • 22308371

    • details

    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

    HMDB28911 Metagene Link

    HMDB28911 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Sodium ionophore III

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Verteeg DH, Witter A: Isolation and identification of alpha-aspartyl-serine, alanylphenylalanine and isoleucylleucine from calf brain stem. J Neurochem. 1970 Jan;17(1):41-52. [PubMed:5494038 ]
    2. Signoret N, Rosenkilde MM, Klasse PJ, Schwartz TW, Malim MH, Hoxie JA, Marsh M: Differential regulation of CXCR4 and CCR5 endocytosis. J Cell Sci. 1998 Sep;111 ( Pt 18):2819-30. [PubMed:9718374 ]

    PMID: 12825930

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