Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:56 UTC
Update Date2025-03-21 18:37:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115053
Frequency22.9
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESCCOC(=O)CNC
InChI KeyBTKSUULMJNNXHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • alpha-amino acid ester
  • secondary amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine