Chem
J-GLOBAL ID:201007020455919713   Nikkaji number:J2.806.001G

3-(4′-Methylthio)butylmalate

3-(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/c1-15-5-3-2-4-6(8(11)12)7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChI key: ZIZLDVKLMYVMNX-UHFFFAOYSA-N
SMILES: CSCCCCC(C(O)C(=O)O)C(=O)O
Systematic name  (3):
  • 2-ヒドロキシ-3-[4-(メチルチオ)ブチル]ブタン二酸
  • 2-ヒドロキシ-3-[4-(メチルスルファニル)ブチル]ブタン二酸
  • 2-hydroxy-3-[4-(methylsulfanyl)butyl]butanedioic acid
Other name (4):
  • 2-Hydroxy-3-[4-(methylthio)butyl]butanedioic acid
  • 3-(4′-Methylthio)butylmalic acid
  • 3-(4′-Methylthio)butylmalate
  • 3-(4′-メチルチオ)ブチルリンゴ酸
KEGG COMPOUND: C17219
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