Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:36:12 UTC
Update Date2025-03-24 22:08:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02005447
Frequency0.6
Structure
Chemical FormulaC5H12O2
Molecular Mass104.0837
SMILESCC(C)(C)C(O)O
InChI KeyQPYKYDBKQYZEKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent carbonyl hydrates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organooxygen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl hydrate
  • hydrocarbon derivative