Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:29 UTC
Update Date2025-03-21 18:36:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111508
Frequency23.8
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESCN(CC#N)CC(=O)O
InChI KeyNQXGSSINNNFRNG-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
  • alpha-aminonitriles
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • nitrile
  • carboxylic acid
  • amino acid
  • tertiary aliphatic amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alpha-aminonitrile
  • amine
  • carbonitrile
  • tertiary amine
  • organooxygen compound