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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:33:45 UTC
Update Date2025-03-24 20:22:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01428227
Frequency0.9
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNCC1CCC(=O)OC1=O
InChI KeyRIHCWRRUYAFHKY-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 heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid anhydrides
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • Substituents
  • carbonyl group
  • delta valerolactone
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • carboxylic acid anhydride
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • organooxygen compound