(+)-アリイン - 分析標準, ≥98 , CAS No.556-27-4

CAS: 556-27-4 Cat. No.: A110692 分子式: C₆H₁₁NO₃S 分子量: 177.22 EC番号: 209-118-9

グレード＆純度 Analytical standard, ≥98%

Synonyms

ACSO|Alliin|S-allyl-l-cysteine sulphoxide|4-(5-formyl-2-furanyl)benzoic acid ethyl ester|Ethyl 4-hydroxy-6,8-dimethyl-3-quinolinecarboxylate|4,4'-Ethylidenediphenol|(2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid|L-Alliin|( inverted exclamation markA)-Alliin|5-bromo-2-carboxypyridine|(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid|S-Allyl-L-cysteine sulfoxide|(R)-3-((S)-Allylsulfinyl)-2-aminopropanoic acid|3-(allylsulfinyl)-l-alanin|(2R)-3-(Allylsulfinyl)-2-aminopropanoic acid|(2R)-3-allylsulfinyl-2-amino-propanoic acid|(2R)-3-(Allylsulfinyl)-2-aminopropanoicacid|3-[(S)-2-propenylsulfinyl]-L-alanine|L(+)Alliin|(+/-)-L-Alliin|(2R)-2-amino-3-prop-2-enylsulinylpropanoic acid|2-amino-4-anilino-6-methylpyrimidine|3-(Allylsulphinyl)-L-alanine|L(+/-)-ALLIIN

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

アリインはニンニクのシステインスルホキシド成分で、アリイナーゼによってアリシンに変換され、刺激的な香りと風味を与える。アリインは、抗ガン作用、抗菌作用、抗高血圧作用、心臓保護作用、抗酸化作用を示す。S-アリルシステインは、ニンニク組織培養によって立体特異的に酸化され、(+)-アリインになる。
経口非環式ヌクレオシド

仕様

同義語

ACSO | Alliin | S-allyl-l-cysteine sulphoxide | 4-(5-formyl-2-furanyl)benzoic acid ethyl ester | Ethyl 4-hydroxy-6,8-dimethyl-3-quinolinecarboxylate | 4,4'-Ethylidenediphenol | (2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid | L-Alliin | ( inverted exclamation markA)-Alliin | 5-bromo-2-carboxypyridine | (2R)-2-amino-3-prop-2-enylsulf もっと見る

仕様と純度

分析標準, ≥98

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

等級

分析用標準物質

純度

≥98%

名前と識別子

パブケム・シド

528752699

カノニカル・スマイル

C=CCS(=O)CC(C(=O)O)N

IUPAC Name

(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid

InChIKey

XUHLIQGRKRUKPH-ITZCMCNPSA-N

INCHI

1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1

異性体SMILES

C=CCS(=O)C[C@@H](C(=O)O)N

分子量

177.22

Reaxy-Rn

3938807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3938807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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 Allyl sulfur compounds 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 - Allyl sulfur compound - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• 説明: 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: non-proteinogenic alpha-amino acid

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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 177.220 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 177.046 Da
• Monoisotopic Mass: 177.046 Da
• Topological Polar Surface Area: 99.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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