Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:38 UTC
Update Date2025-03-21 18:41:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133279
Frequency18.9
Structure
Chemical FormulaC7H15NO2
Molecular Mass145.1103
SMILESCCCCC(O)C(=O)CN
InChI KeyJCCRQVBWPBLALX-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
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound