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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:28 UTC
Update Date2025-03-25 00:51:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186414
Frequency0.5
Structure
Chemical FormulaC9H15NO6
Molecular Mass233.0899
SMILESNC1C(O)CC(CC(=O)O)(C(=O)O)CC1O
InChI KeyNDQBIULHFNLDKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound