Chem
J-GLOBAL ID：201007006040229921   Nikkaji number：J2.806.057B

2-(6′-Methylthio)hexylmalate

2-(6′-メチルチオ)ヘキシルリンゴ酸
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： C11H20O5S
Molecular formula furigana： C11-H20-O5-S
Molecular weight： 264.340
InChI： InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)
InChI key： FEKMFSGDBKSRNR-UHFFFAOYSA-N
SMILES： CSCCCCCCC(O)(CC(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-2-[6-(メチルチオ)ヘキシル]ブタン二酸
  • 2-ヒドロキシ-2-[6-(メチルスルファニル)ヘキシル]ブタン二酸
  • 2-hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-2-[6-(methylthio)hexyl]butanedioic acid
  • 2-(6′-Methylthio)hexylmalic acid
  • 2-(6′-Methylthio)hexylmalate
  • 2-(6′-メチルチオ)ヘキシルリンゴ酸
KEGG COMPOUND： C17226
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