Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:16:58 UTC
Update Date2025-03-24 14:15:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00811042
Frequency1.8
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESO=C(O)CC1(O)COC1
InChI KeyKUQJDESVEDEKAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound