Hmdb loader

Showing information for DMID00819650

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:20:26 UTC
Update Date2025-03-24 14:17:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00819650
Frequency1.8
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESC=C(NC(C)=O)C(C)=O
InChI KeyOWJPQTSNDMPHHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • acryloyl compounds
  • carboxylic acids and derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • acetamide
  • enone