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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:40:39 UTC
Update Date2025-03-24 21:17:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01731846
Frequency0.7
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCNC1CCOC(=O)C1
InChI KeyVCUOWMYXVLPSRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • amino acid or derivatives
  • delta valerolactone
  • secondary amine
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • delta_valerolactone
  • organooxygen compound
  • amine