Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:47:48 UTC
Update Date2025-03-21 21:58:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00456397
Frequency3.8
Structure
Chemical FormulaC6H10NO2+
Molecular Mass128.0706
SMILESC[N+]1=C(C(=O)O)CCC1
InChI KeyGESIAVCIRWASOE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-imino acid and derivatives
Direct Parent alpha-imino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • alpha-imino acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound