Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:33:45 UTC
Update Date2025-03-21 21:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00423245
Frequency4.2
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESNC1CCOC(=O)CC1
InChI KeyXPCLYXCAKWFWBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxepanes
  • Substituents
  • caprolactone
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound