Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 09:35:24 UTC
Update Date2025-03-24 20:23:16 UTC
HMDB IDHMDB0245924
Metabolite Identification
DeepMet IDDMID01432089
Name3-Methyl-1-pentyn-3-ol
Frequency0.9
Structure
Chemical FormulaC6H10O
Molecular Mass98.0732
SMILESC#CC(C)(O)CC
InChI KeyQXLPXWSKPNOQLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ynones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetylides
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • tertiary alcohol
  • acetylide
  • hydrocarbon derivative
  • ynone