Chem
J-GLOBAL ID：200907033374405972   Nikkaji number：J309.041H

β-Ketoadipic acid

β-ケトアジピン酸
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： C6H8O5
Molecular formula furigana： C6-H8-O5
Molecular weight： 160.125
InChI： InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
InChI key： RTGHRDFWYQHVFW-UHFFFAOYSA-N
SMILES： OC(=O)CCC(=O)CC(=O)O
Systematic name  (4)：
  • β-ケトアジピン酸
  • 3-オキソアジピン酸
  • 3-オキソヘキサン二酸
  • 3-oxohexanedioic acid
Other name (3)：
  • 3-Oxohexanedioic acid
  • 3-Oxoadipic acid
  • β-Ketoadipic acid
CAS registry number： 689-31-6
KEGG COMPOUND： C00846
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