Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:32 UTC
Update Date2025-03-25 00:53:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202448
Frequency0.5
Structure
Chemical FormulaC7H13N2O3+
Molecular Mass173.0921
SMILESC[N+](C)(C)C(=C=O)C(N)C(=O)O
InChI KeyCMUGAUPQBRZZJI-UHFFFAOYSA-O
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
  • amines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • ynolates
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • quaternary ammonium salt
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound