Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:54 UTC
Update Date2025-03-21 17:57:08 UTC
HMDB IDHMDB0039779
Metabolite Identification
DeepMet IDDMID00005916
Namexi-3-Methyl-3-buten-2-ol
Frequency887.7
Structure
Chemical FormulaC5H10O
Molecular Mass86.0732
SMILESC=C(C)C(C)O
InChI KeyJEYLKNVLTAPJAF-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