L-Methionine-(methyl-¹³C) - ≥99 atom% 13C,≥98% , CAS No.49705-26-2

CAS: 49705-26-2 Cat. No.: L473919 Molecular Weight: 150.2

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

MFCD00002623 | L-Methionine-(methyl-13C), 99 atom % 13C | (2S)-2-amino-4-(113C)methylsulfanylbutanoic acid | L-Methionine-13C | Methionine-methyl-13C-methyl-d3 | 55YCX1IL8T | L-Methionine-methyl-13C | UNII-55YCX1IL8T | (Me-13C)-L-methionine | (Methyl-13C)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD00002623 | L-Methionine-(methyl-13C), 99 atom % 13C | (2S)-2-amino-4-(113C)methylsulfanylbutanoic acid | L-Methionine-13C | Methionine-methyl-13C-methyl-d3 | 55YCX1IL8T | L-Methionine-methyl-13C | UNII-55YCX1IL8T | (Me-13C)-L-methionine | (Methyl-13C)

Specifications & Purity

≥99 atom% 13C, ≥98%

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

≥99 atom% 13C, ≥98%

Names and Identifiers

• Canonical Smiles: CSCCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-4-(113C)methylsulfanylbutanoic acid
• InChIKey: FFEARJCKVFRZRR-YWQIHCTDSA-N
• INCHI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1
• Isomeric SMILES: [13CH3]SCC[C@@H](C(=O)O)N
• Molecular Weight: 150.2
• Reaxy-Rn: 636185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636185&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 Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides 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 - Thioether - Sulfenyl compound - Dialkylthioether - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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: Not available

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

• Melt Point(°C): 273℃ (dec.) (lit.)
• Molecular Weight: 150.210 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 150.054 Da
• Monoisotopic Mass: 150.054 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.000
• Isotope Atom Count: 1
• 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: 1