Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:50 UTC
Update Date2025-03-21 18:41:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135963
Frequency18.4
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESCN(C)CCOC=O
InChI KeyYIONKIGVBTVBLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • amino acid or derivatives
  • tertiary aliphatic amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound