Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:48 UTC
Update Date2025-03-21 18:39:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126557
Frequency20.2
Structure
Chemical FormulaC7H15NO3
Molecular Mass161.1052
SMILESCCCOC(=O)C(N)C(C)O
InChI KeyRELVKKXAEWOJGJ-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
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • alpha-amino acid ester
  • hydroxy acid
  • fatty acid ester
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound