Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:34 UTC
Update Date2025-03-21 18:36:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111704
Frequency23.8
Structure
Chemical FormulaC7H13NO4
Molecular Mass175.0845
SMILESCC(C(=O)O)C(=O)NCCCO
InChI KeyQLSVTGINPFGIKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carboxylic acid
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound