Chem
J-GLOBAL ID：201007016921717720   Nikkaji number：J2.805.987F

2-(4′-Methylthio)butylmalate

2-(4′-メチルチオ)ブチルリンゴ酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H16O5S
Molecular formula furigana： C9-H16-O5-S
Molecular weight： 236.280
InChI： InChI=1S/C9H16O5S/c1-15-5-3-2-4-9(14,8(12)13)6-7(10)11/h14H,2-6H2,1H3,(H,10,11)(H,12,13)
InChI key： MHYITDUVXNMMNZ-UHFFFAOYSA-N
SMILES： CSCCCCC(O)(CC(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-2-[4-(メチルチオ)ブチル]ブタン二酸
  • 2-ヒドロキシ-2-[4-(メチルスルファニル)ブチル]ブタン二酸
  • 2-hydroxy-2-[4-(methylsulfanyl)butyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-2-[4-(methylthio)butyl]butanedioic acid
  • 2-(4′-Methylthio)butylmalic acid
  • 2-(4′-Methylthio)butylmalate
  • 2-(4′-メチルチオ)ブチルリンゴ酸
KEGG COMPOUND： C17218
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