Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:26 UTC
Update Date2025-03-21 18:40:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130494
Frequency19.4
Structure
Chemical FormulaC4H8O4
Molecular Mass120.0423
SMILESO=C(CO)OCCO
InChI KeyWBVXRNIPAILLQM-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 acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound