Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:42:22 UTC
Update Date2025-03-21 17:59:22 UTC
HMDB IDHMDB0245993
Metabolite Identification
DeepMet IDDMID00020599
Name3,3-Dimethyl-2-butanol
Frequency196.2
Structure
Chemical FormulaC6H14O
Molecular Mass102.1045
SMILESCC(O)C(C)(C)C
InChI KeyDFOXKPDFWGNLJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative