Chem
J-GLOBAL ID：201007072051437014   Nikkaji number：J2.806.128E

2-(7′-Methylthio)heptylmalate

2-(7′-メチルチオ)ヘプチルリンゴ酸
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： C12H22O5S
Molecular formula furigana： C12-H22-O5-S
Molecular weight： 278.360
InChI： InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)
InChI key： PWAKELUEEHWVFQ-UHFFFAOYSA-N
SMILES： CSCCCCCCCC(O)(CC(=O)O)C(=O)O
Systematic name  (3)：
  • 2-ヒドロキシ-2-[7-(メチルチオ)ヘプチル]ブタン二酸
  • 2-ヒドロキシ-2-[7-(メチルスルファニル)ヘプチル]ブタン二酸
  • 2-hydroxy-2-[7-(methylsulfanyl)heptyl]butanedioic acid
Other name (4)：
  • 2-Hydroxy-2-[7-(methylthio)heptyl]butanedioic acid
  • 2-(7′-Methylthio)heptylmalic acid
  • 2-(7′-Methylthio)heptylmalate
  • 2-(7′-メチルチオ)ヘプチルリンゴ酸
KEGG COMPOUND： C17230
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