Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:48 UTC
Update Date2025-03-25 00:59:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239638
Frequency0.5
Structure
Chemical FormulaC16H29NO6
Molecular Mass331.1995
SMILESNCC(CC(=O)O)OC(=O)CCCCCCCCCCC(=O)O
InChI KeyQALJTDABKPIRBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tricarboxylic acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound