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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:35 UTC
Update Date2025-03-21 18:33:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094579
Frequency29.4
Structure
Chemical FormulaC7H11NO3
Molecular Mass157.0739
SMILESO=C(O)C1CCCCNC1=O
InChI KeyMQXIMPGNIJCBHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactams
Subclass caprolactams
Direct Parent caprolactams
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • azepanes
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • caprolactam
  • carbonyl group
  • carboxylic acid
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • azepane
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound