Isovaleryl-L-carnitine - ≥94%(HPLC) , CAS No.31023-24-2

CAS: 31023-24-2 Cat. No.: I463320 Molecular Weight: 245.32 Beilstein Registry Number: 5946880

GRADE & PURITY ≥94%(HPLC)

Synonyms

3-Methylbutyrylcarnitine | SCHEMBL232682 | Q27140242 | AKOS015841719 | Isovaleryl L-carnitine | 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate | 3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate | 3-[(3-methylbutanoyl)oxy]-4-(trimethylamm

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product description：

Isovalerylcarnitine is a product of the catabolism of L-leucine. Isovalerylcarnitine is also a selective and reversible calpain activator that induces apoptosis.

Specifications

Synonyms

3-Methylbutyrylcarnitine | SCHEMBL232682 | Q27140242 | AKOS015841719 | Isovaleryl L-carnitine | 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate | 3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate | 3-[(3-methylbutanoyl)oxy]-4-(trimethylamm

Specifications & Purity

≥94%(HPLC)

Biochemical and Physiological Mechanisms

Isovalerylcarnitine is the phenotypic abnormality in iso-valeric acidemia resulting from an accumulation of isovaleric acid, which is toxic to the central nervous system. Isovaleric acidemia is an autosomal recessive inborn error of leucine metabolism cau

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥94%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764136
• Canonical Smiles: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
• IUPAC Name: 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
• InChIKey: IGQBPDJNUXPEMT-UHFFFAOYSA-N
• INCHI: 1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
• Isomeric SMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
• Molecular Weight: 245.32
• Beilstein: 5946880
• Reaxy-Rn: 5814736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5814736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl carnitines
• Alternative Parents: Branched fatty acids Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl-carnitine - Branched fatty acid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
• External Descriptors: C5-acylcarnitine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 245.320 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 245.163 Da
• Monoisotopic Mass: 245.163 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 263.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1