Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:21:37 UTC
Update Date2025-03-21 19:12:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00254527
Frequency8.2
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESO=C(O)CC1CC=CCN1
InChI KeyHNPBETPLJCKVBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid
  • secondary amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • amine