Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:10:40 UTC
Update Date2025-03-21 19:05:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00228800
Frequency9.4
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESCNC(=O)C(C)(C)O
InChI KeyVQMVAASPDIUGRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • tertiary alcohol
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound