Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:11:06 UTC
Update Date2025-03-24 16:42:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00941041
Frequency1.5
Structure
Chemical FormulaC6H12N2O2
Molecular Mass144.0899
SMILESCN(C)C=CC(N)C(=O)O
InChI KeyIFEJFAPTTSYNIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • enamines
  • fatty acyls
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • tertiary aliphatic amine
  • amino fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine