Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:17 UTC
Update Date2025-03-21 18:36:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111022
Frequency24.0
Structure
Chemical FormulaC8H16N2O2
Molecular Mass172.1212
SMILESNCCCCNCC=CC(=O)O
InChI KeyDSHSXWAVRUSGRP-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
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • unsaturated fatty acids
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • straight chain fatty acid
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • unsaturated fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine