Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:52 UTC
Update Date2025-03-21 18:00:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00028702
Frequency130.9
Structure
Chemical FormulaC9H17NO2
Molecular Mass171.1259
SMILESCNCC1CCC(C(=O)O)CC1
InChI KeyIDMTVFPMTNDKTC-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 homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid
  • secondary amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine