Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:41:11 UTC
Update Date2025-03-21 18:48:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00160089
Frequency14.9
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(=O)C(=O)C(C)(C)O
InChI KeyNARMPYMUEZMSEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • alpha-diketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative