Chem
J-GLOBAL ID：201007065089096311   Nikkaji number：J2.806.004A

3-(5′-Methylthio)pentylmalate

3-(5′-メチルチオ)ペンチルリンゴ酸
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： C10H18O5S
Molecular formula furigana： C10-H18-O5-S
Molecular weight： 250.310
InChI： InChI=1S/C10H18O5S/c1-16-6-4-2-3-5-7(9(12)13)8(11)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChI key： YBISUHXEJDGADQ-UHFFFAOYSA-N
SMILES： CSCCCCCC(C(O)C(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-3-[5-(メチルチオ)ペンチル]ブタン二酸
  • 2-ヒドロキシ-3-[5-(メチルスルファニル)ペンチル]ブタン二酸
  • 2-hydroxy-3-[5-(methylsulfanyl)pentyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-3-[5-(methylthio)pentyl]butanedioic acid
  • 3-(5′-Methylthio)pentylmalic acid
  • 3-(5′-Methylthio)pentylmalate
  • 3-(5′-メチルチオ)ペンチルリンゴ酸
KEGG COMPOUND： C17223
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