Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:29 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225488
Frequency0.5
Structure
Chemical FormulaC7H12O4
Molecular Mass160.0736
SMILESCC(=O)OCCCC(=O)CO
InChI KeyDFAIKRBNWZAZAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha-hydroxy ketones
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative