Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:17 UTC
Update Date2025-03-21 18:28:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00070019
Frequency43.0
Structure
Chemical FormulaC9H15NO3
Molecular Mass185.1052
SMILESCC=C(C)C(=O)NCCCC(=O)O
InChI KeySSQPPTSKSQAMBM-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
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • carboxamide group
  • branched fatty acid
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound