Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:10:17 UTC
Update Date2025-03-24 19:56:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01081892
Frequency1.3
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESCN(C)CC=CC(N)=O
InChI KeyYLUGQOCWOPDIMD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent primary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • carbonyl group
  • amino acid or derivatives
  • tertiary aliphatic amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound