Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:57 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171483
Frequency0.5
Structure
Chemical FormulaC4H7NO2
Molecular Mass101.0477
SMILESCN(C=O)CC=O
InChI KeyYSSPUGKTSGKUNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent tertiary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound