Chem
J-GLOBAL ID：201007087167857301   Nikkaji number：J2.805.980I

3-(2′-Methylthio)ethylmalate

3-(2′-メチルチオ)エチルリンゴ酸
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： C7H12O5S
Molecular formula furigana： C7-H12-O5-S
Molecular weight： 208.230
InChI： InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChI key： UZRMQJKPFRLIDG-UHFFFAOYSA-N
SMILES： CSCCC(C(O)C(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-3-[2-(メチルチオ)エチル]ブタン二酸
  • 2-ヒドロキシ-3-[2-(メチルスルファニル)エチル]ブタン二酸
  • 2-hydroxy-3-[2-(methylsulfanyl)ethyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-3-[2-(methylthio)ethyl]butanedioic acid
  • 3-(2′-Methylthio)ethylmalic acid
  • 3-(2′-Methylthio)ethylmalate
  • 3-(2′-メチルチオ)エチルリンゴ酸
KEGG COMPOUND： C17212
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