Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:21:16 UTC
Update Date2025-03-24 20:17:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01397855
Frequency0.9
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESNC(=O)C1(O)CCC1
InChI KeyCYRHDKDHDLUODS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • cyclobutanol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound