Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:39 UTC
Update Date2025-03-21 17:57:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007659
Frequency653.1
Structure
Chemical FormulaC5H10O2
Molecular Mass102.0681
SMILESCC(=O)C(C)(C)O
InChI KeyBNDRWEVUODOUDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • ketone
  • alcohol
  • aliphatic acyclic compound
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative
  • alpha-hydroxy ketone