S-Methyl-L-Cysteine Sulphoxide - ≥98% , CAS No.6853-87-8

CAS: 6853-87-8 Cat. No.: M106189 Peso molecular: 151.18 Número EC: 899-340-8

GRADE & PURITY ≥98%

Synonyms

A836177 | (R)-2-Amino-3-((S)-methylsulfinyl)propanoic acid | BBL102294 | D8W7K73RV4 | (R)-2-Amino-3-((S)-methylsulfinyl)propanoicacid | 3-(methylsulfinyl)-L-alanine | DS-17496 | Methyl alliin | STL556093 | S-Methylcysteine S-oxide | MFCD00152132 | S-Methy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product Application:
S-​Methyl-​L-​cysteine Sulfoxide is a metabolite produced as a result of onion, garlic and other herb consumption which may also have effects that warrant use in the food and medical industry involving cholesterol.

Specifications

Sinónimos

A836177 | (R)-2-Amino-3-((S)-methylsulfinyl)propanoic acid | BBL102294 | D8W7K73RV4 | (R)-2-Amino-3-((S)-methylsulfinyl)propanoicacid | 3-(methylsulfinyl)-L-alanine | DS-17496 | Methyl alliin | STL556093 | S-Methylcysteine S-oxide | MFCD00152132 | S-Methy

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Amino acid isolated from cabbage. Analogue of alliin . Diastereoisomeric sulphoxide of S -methyl-L-cysteine.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188524
• Sonrisas canónicas: CS(=O)CC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-3-methylsulfinylpropanoic acid
• InChIKey: ZZLHPCSGGOGHFW-BUKSALPDSA-N
• INCHI: 1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1
• Isómeros SMILES: CS(=O)C[C@@H](C(=O)O)N
• Peso molecular: 151.18
• Reaxy-Rn: 3934941
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3934941&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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Sulfoxides Amino acids Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Sulfoxide - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfinyl compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

Objetivos asociados (no humanos)

Penicillium oxalicum (133 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Micrococcus luteus (7463 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 156-159°C
• Peso molecular: 151.190 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 151.03 Da
• Monoisotopic Mass: 151.03 Da
• Topological Polar Surface Area: 99.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Jing Nie, Rui Weng, Chunlin Li, Xiuhua Liu, Fang Wang, Karyne M. Rogers, Yongzhong Qian, Yongzhi Zhang, Yuwei Yuan.  (2022)  Chemometric origin classification of Chinese garlic using sulfur-containing compounds, assisted by stable isotopes and bioelements.  FOOD CHEMISTRY,      [PMID:35759834] [10.1016/j.foodchem.2022.133557]