Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:45 UTC
Update Date2025-03-21 18:02:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037957
Frequency92.4
Structure
Chemical FormulaC5H10O3
Molecular Mass118.063
SMILESCC(=O)C(C)(O)CO
InChI KeyILAYTWAIZAKGGA-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
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative
  • 1,2-diol