Isoleucyl-Valine

Common Name

Isoleucyl-Valine Description

Isoleucyl-Valine is a dipeptide composed of isoleucine and valine. 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

Synonyms

Value Source I-V dipeptideHMDB Ile-valHMDB Isoleucine valine dipeptideHMDB Isoleucine-valine dipeptideHMDB IsoleucylvalineHMDB IV dipeptideHMDB L-Isoleucyl-L-valineHMDB

Chemical Formlia

C₁₁H₂₂N₂O₃ Average Molecliar Weight

230.304 Monoisotopic Molecliar Weight

230.16304258 IUPAC Name

2-(2-amino-3-methylpentanamido)-3-methylbutanoic acid Traditional Name

2-(2-amino-3-methylpentanamido)-3-methylbutanoic acid CAS Registry Number

Not Available SMILES

InChI Identifier

InChI Key

BCXBIONYYJCSDF-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

Isoleucine and derivatives

Valine 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

Isoleucine or derivatives

N-acyl-alpha-amino acid

Valine or derivatives

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

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-1.16Extrapolated

Predicted Properties

Property Value Source Water Solubility9.89 mg/mLALOGPS logP-1.1ALOGPS logP-1.2ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)4.06ChemAxon pKa (Strongest Basic)8.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area92.42 ŲChemAxon Rotatable Bond Count6ChemAxon Refractivity60.39 m³·mol^-1ChemAxon Polarizability25.15 ųChemAxon 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

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

HMDB28920 Metagene Link

HMDB28920 METLIN ID

Not Available PubChem Compound

Not Available PDB ID

Not Available ChEBI ID

Not Available

Product: Osalmid

References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References

1. Suh YJ, Kim BM, Park BH, Park H, Kim YJ, Kim H, Hong YC, Ha EH: Cytochrome P450IA1 polymorphisms along with PM(10) exposure contribute to the risk of birth weight reduction. Reprod Toxicol. 2007 Nov-Dec;24(3-4):281-8. Epub 2007 Jul 7. [PubMed:17706398 ]
2. CHEN PF, MALLETTE MF: SYNTHESIS OF THE NEW DIPEPTIDE ISOLEUCYLVALINE BY AN IMPROVEMENT OF METHODS APPLIED TO ALIPHATIC AMINO ACIDS. Nature. 1964 May 9;202:598-9. [PubMed:14195067 ]
3. Kammerer S, Burns-Hamuro LL, Ma Y, Hamon SC, Canaves JM, Shi MM, Nelson MR, Sing CF, Cantor CR, Taylor SS, Braun A: Amino acid variant in the kinase binding domain of dual-specific A kinase-anchoring protein 2: a disease susceptibility polymorphism. Proc Natl Acad Sci U S A. 2003 Apr 1;100(7):4066-71. Epub 2003 Mar 19. [PubMed:12646697 ]
4. Wang JJ, Zheng Y, Sun L, Wang L, Yu PB, Li HL, Tian XP, Dong JH, Zhang L, Xu J, Shi W, Ma TY: CYP1A1 Ile462Val polymorphism and susceptibility to lung cancer: a meta-analysis based on 32 studies. Eur J Cancer Prev. 2011 Nov;20(6):445-52. doi: 10.1097/CEJ.0b013e328345f937. [PubMed:22025136 ]
5. Bulaj G, Otlewski J: Ligand-induced changes in the conformational stability of bovine trypsinogen and their implications for the protein function. J Mol Biol. 1995 Apr 7;247(4):701-16. [PubMed:7723025 ]

PMID: 9566817