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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:00 UTC
Update Date2025-03-25 00:57:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224465
Frequency0.5
Structure
Chemical FormulaC9H13NO5
Molecular Mass215.0794
SMILESO=C(O)C(CCC1CCC(O)=N1)C(=O)O
InChI KeyPLIMFHGHRVWSDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent heterocyclic fatty acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • branched fatty acids
  • carboxylic acids
  • cyclic carboximidic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • short-chain hydroxy acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • branched fatty acid
  • pyrroline
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • cyclic carboximidic acid
  • organooxygen compound