Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:17:18 UTC
Update Date2025-03-24 14:15:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00811889
Frequency1.8
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESCC(=O)OCC1CO1
InChI KeyJKXONPYJVWEAEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • oxirane
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound