Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:36:23 UTC
Update Date2025-03-25 00:21:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01291044
Frequency1.0
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESO=CC(O)(CO)CCO
InChI KeyLJHDDMZHCMRVDG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tertiary alcohol
  • organic oxide
  • short-chain aldehyde
  • alpha-hydroxyaldehyde
  • aldehyde
  • hydrocarbon derivative