Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:11:39 UTC
Update Date2025-03-21 19:06:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00231027
Frequency9.3
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCN(C)CC=CCC(=O)O
InChI KeyXNHCUFADZIHLCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent straight chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • straight chain fatty acid
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound