Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:52:45 UTC
Update Date2025-03-24 14:05:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00753204
Frequency2.0
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESNC1(C(=O)O)C=CCC1
InChI KeyCDLOITPKGGWOCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound