Chem
J-GLOBAL ID：201007001663104168   Nikkaji number：J2.805.984A

2-(3′-Methylthio)propylmalate

2-(3′-メチルチオ)プロピルリンゴ酸
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： C8H14O5S
Molecular formula furigana： C8-H14-O5-S
Molecular weight： 222.260
InChI： InChI=1S/C8H14O5S/c1-14-4-2-3-8(13,7(11)12)5-6(9)10/h13H,2-5H2,1H3,(H,9,10)(H,11,12)
InChI key： WLOKFRZXOVZGIN-UHFFFAOYSA-N
SMILES： CSCCCC(O)(CC(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-2-[3-(メチルチオ)プロピル]ブタン二酸
  • 2-ヒドロキシ-2-[3-(メチルスルファニル)プロピル]ブタン二酸
  • 2-hydroxy-2-[3-(methylsulfanyl)propyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-2-[3-(methylthio)propyl]butanedioic acid
  • 2-(3′-Methylthio)propylmalic acid
  • 2-(3′-Methylthio)propylmalate
  • 2-(3′-メチルチオ)プロピルリンゴ酸
KEGG COMPOUND： C17214
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