Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:58 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194256
Frequency0.5
Structure
Chemical FormulaC7H17N2O3+
Molecular Mass177.1234
SMILESCN(CC(=O)O)C(O)[N+](C)(C)C
InChI KeyRBAPCHGDFYSVBX-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
  • alkanolamines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • orthocarboxylic acid derivatives
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • orthocarboxylic acid derivative
  • organic salt
  • organooxygen compound
  • alkanolamine