Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:04:18 UTC
Update Date2025-03-25 00:33:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02072238
Frequency0.6
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNC1=C(C(=O)O)CCCO1
InChI KeyNJEZOXSVWXEPLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • vinylogous esters
  • Substituents
  • vinylogous amide
  • carbonyl group
  • carboxylic acid
  • vinylogous ester
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound