Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:27:06 UTC
Update Date2025-03-21 22:18:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00549541
Frequency3.0
Structure
Chemical FormulaC6H14O3
Molecular Mass134.0943
SMILESCCOC(CO)C(C)O
InChI KeyLPKBEKQNCUXIRX-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • primary alcohols
  • Substituents
  • aliphatic acyclic compound
  • ether
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • dialkyl ether