Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:23:21 UTC
Update Date2025-03-24 14:18:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00826842
Frequency1.8
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESCC(O)(C=O)C=O
InChI KeySQHUBVCIVAIUAB-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