Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:41:24 UTC
Update Date2025-03-21 22:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00583692
Frequency2.8
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCCC(NC)C(=O)OC
InChI KeyINBBIXRVEUBDRU-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
  • dialkylamines
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • alpha-amino acid ester
  • secondary amine
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine