Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:14 UTC
Update Date2025-03-25 01:02:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254428
Frequency0.5
Structure
Chemical FormulaC8H16N2O3
Molecular Mass188.1161
SMILESCC(C)(CO)C(=O)NCCC(N)=O
InChI KeyRWNJOWWLRQPLFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxamide group
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound