Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:30:38 UTC
Update Date2025-03-21 20:57:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00415621
Frequency4.3
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESCC(=O)C1CC(=O)O1
InChI KeyCPLJFNVLHWUVTO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • beta propiolactones
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • alpha-acyloxy ketone
  • carboxylic acid derivative
  • beta_propiolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound