Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:16:04 UTC
Update Date2025-03-24 20:40:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01528785
Frequency0.8
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCN1CC=CC(C(=O)O)C1
InChI KeyCPZNNPFYSMLRIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent trialkylamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound