Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:39 UTC
Update Date2025-03-21 17:58:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014639
Frequency300.7
Structure
Chemical FormulaC5H10O3
Molecular Mass118.063
SMILESCC(=O)CC(O)CO
InChI KeyNJUQBPDKVORANW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • 1,2-diol