Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:15:31 UTC
Update Date2025-03-21 19:08:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00240195
Frequency8.8
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1CC(CO)C(=O)O1
InChI KeyPCIXRGHQVRSWNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound