L-Methionine-(methyl-d3) - Moligand™,≥98 atom% D , CAS No.13010-53-2

CAS: 13010-53-2 Cat. No.: L133003 Molecular Weight: 152.23

GRADE & PURITY Moligand™, ≥98 atom% D

Synonyms

L-Methionine-(methyl-d3) | L-Methionine-(methyl-d3), 98 atom % D | l-Methionine-d3 | L-Methionine-methyl-D3 | (2S)-2-amino-4-[(?H?)methylsulfanyl]butanoic acid | (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acid | Cymethion-d3 | HY-N0326S7 | (S)-2-A

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

L-Methionine-d3 is labelled L-Methionine, an essential amino acid for human development. Hepatoprotectant; antidote (acetominophen poisoning); urinary acidifier.
A labled essential amino acid for human development.

Specifications

Synonyms

L-Methionine-(methyl-d3) | L-Methionine-(methyl-d3), 98 atom % D | l-Methionine-d3 | L-Methionine-methyl-D3 | (2S)-2-amino-4-[(?H?)methylsulfanyl]butanoic acid | (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acid | Cymethion-d3 | HY-N0326S7 | (S)-2-A

Specifications & Purity

Moligand™, ≥98 atom% D

Storage

Protected from light, Room temperature

Shipped In

Normal

Grade

Moligand™

Purity

≥98 atom% D

Names and Identifiers

• Pubchem Sid: 488198917
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198917
• Canonical Smiles: CSCCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acid
• InChIKey: FFEARJCKVFRZRR-OSIBIXDNSA-N
• INCHI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N
• Alternate CAS: 63-68-3 (unlabeled）
• Molecular Weight: 152.23
• 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

• Solubility: Soluble in water
• Sensitivity: Air & Moisture & Light sensitive
• Melt Point(°C): 284 °C
• Molecular Weight: 152.230 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 152.07 Da
• Monoisotopic Mass: 152.07 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.000
• Isotope Atom Count: 3
• 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

References

1. You Xue-Jiao, Zhang Shan, Chen Juan-Juan, Tang Feng, He Jingang, Wang Jie, Qi Chu-Bo, Feng Yu-Qi, Yuan Bi-Feng.  (2022)  Formation and removal of 1,N6-dimethyladenosine in mammalian transfer RNA.  NUCLEIC ACIDS RESEARCH,  50  (17): (9858-9872).  [PMID:36095124] [10.1093/nar/gkac770]

2. Qing-Yun Cheng, Jun Xiong, Cheng-Jie Ma, Yi Dai, Jiang-Hui Ding, Fei-Long Liu, Bi-Feng Yuan, Yu-Qi Feng.  (2020)  Chemical tagging for sensitive determination of uridine modifications in RNA.  Chemical Science,  11  (7): (1878-1891).  [PMID:34123281] [10.1039/C9SC05094A]

3. Zhijian Zha, Ruihua Wang, Qian Wang, Fahui Chen, Ziyang Ye, Yafeng Li.  (2024)  A fast and efficient liquid chromatography–tandem mass spectrometry method for measuring l- and d-amino acids in the urine of patients with immunoglobulin A nephropathy.  BIOMEDICAL CHROMATOGRAPHY,  38  (6): (e5866).  [PMID:38618866] [10.1002/bmc.5866]