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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:59 UTC
Update Date2025-03-21 18:39:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124577
Frequency20.6
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESO=C1CCC(O)C(O)CN1
InChI KeyZQBBYLAQPWMOAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactams
Subclass caprolactams
Direct Parent caprolactams
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • azepanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • caprolactam
  • carbonyl group
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • azepane
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • 1,2-diol