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

CAS: 31023-24-2 Cat. No.: I463320 Peso molecular: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥94%(HPLC)

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥94%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764136
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
• Peso molecular: 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
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 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