L-Methionine-S-methyl Sulfonium Chloride - ≥95% , CAS No.1115-84-0

CAS: 1115-84-0 Cat. No.: L354322 Peso molecular: 199.7 Número EC: 214-231-1

GRADE & PURITY ≥95%

Synonyms

W-106699 | Cabagin U (TN) | U-Vit | S-Methymethionine chloride | L-Methionine S-methylsulfonium chloride | PB12373 | [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium;chloride | NA-0812 | CHEBI:6884 | (S)-(3-Amino-3-carboxypropyl)dimethylsulfoniumchloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application：

A derivative of L-Methionine (M260440). Naturally occurring sulfonium compound found in a large number of plants. Identification of antiulcer vitamin in cabbage leaves. Antiulcerative.

Specifications

Sinónimos

W-106699 | Cabagin U (TN) | U-Vit | S-Methymethionine chloride | L-Methionine S-methylsulfonium chloride | PB12373 | [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium;chloride | NA-0812 | CHEBI:6884 | (S)-(3-Amino-3-carboxypropyl)dimethylsulfoniumchloride

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504768286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768286
• Sonrisas canónicas: C[S+](C)CCC(C(=O)O)N.[Cl-]
• IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium;chloride
• InChIKey: MYGVPKMVGSXPCQ-JEDNCBNOSA-N
• INCHI: 1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
• Isómeros SMILES: C[S+](C)CC[C@@H](C(=O)O)N.[Cl-]
• Peso molecular: 199.7
• Reaxy-Rn: 4163617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Methionine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: L-alpha-amino acids Thia fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organosulfur compounds Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid - L-alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic salt - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: organic molecular entity

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 129-133°C
• Peso molecular: 199.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 199.043 Da
• Monoisotopic Mass: 199.043 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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