Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:46 UTC
Update Date2025-03-21 18:38:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119442
Frequency21.8
Structure
Chemical FormulaC8H17NO2
Molecular Mass159.1259
SMILESCCCCC(N)C(=O)OCC
InChI KeyNOLURLQNLRYBJS-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
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • alpha-amino acid ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound