Chem
J-GLOBAL ID：200907084982664518   Nikkaji number：J319.987H

(2S)-2-Isopropylmalate

2-イソプロピル-D-りんご酸
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： C7H12O5
Molecular formula furigana： C7-H12-O5
Molecular weight： 176.168
InChI： InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChI key： BITYXLXUCSKTJS-ZETCQYMHSA-N
SMILES： CC(C)[C@@](O)(CC(=O)O)C(=O)O
Systematic name  (5)：
  • (S)-2-ヒドロキシ-2-(1-メチルエチル)ブタン二酸
  • 2-イソプロピル-D-りんご酸
  • (S)-2-イソプロピル-2-ヒドロキシブタン二酸
  • (2S)-2-ヒドロキシ-2-(プロパン-2-イル)ブタン二酸
  • (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
Other name (4)：
  • (S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid
  • 2-Isopropyl-D-malic acid
  • (S)-2-Isopropyl-2-hydroxybutanedioic acid
  • (2S)-2-Isopropylmalate
CAS registry number： 49601-06-1
Regulation number (1)：
  • EINECS2563957
KEGG COMPOUND： C02504
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