Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:38:56 UTC
Update Date2025-03-24 17:54:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01007814
Frequency1.4
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCCC(C)(N)C(=O)OC
InChI KeyLYSVZYUJIMIKEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • 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
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound