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

CAS: 1115-84-0 Cat. No.: L354322 Molecular Weight: 199.7 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768286
• Canonical Smiles: 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
• Isomeric SMILES: C[S+](C)CC[C@@H](C(=O)O)N.[Cl-]
• Molecular Weight: 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
    • Class 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
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 129-133°C
• Molecular Weight: 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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