Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:52:20 UTC
Update Date2025-03-21 18:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00186746
Frequency12.2
Structure
Chemical FormulaC8H18O
Molecular Mass130.1358
SMILESCCCC(O)C(C)(C)C
InChI KeyPFHLGQKVKALLMD-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