Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:59 UTC
Update Date2025-03-25 00:48:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169241
Frequency0.5
Structure
Chemical FormulaC10H19NO4
Molecular Mass217.1314
SMILESCCCOC(=O)CNC(=O)OC(C)(C)C
InChI KeyJJRCBYIAIXITJN-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
  • carbamate esters
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • alpha-amino acid ester
  • carbamic acid ester
  • 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