Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:27 UTC
Update Date2025-03-25 01:01:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252693
Frequency0.5
Structure
Chemical FormulaC8H15NO2
Molecular Mass157.1103
SMILESC=CC(CC)NC(C)C(=O)O
InChI KeyVBULRRQTXPBABC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alanine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid
  • secondary amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alanine or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine