Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:27 UTC
Update Date2025-03-25 00:51:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186351
Frequency0.5
Structure
Chemical FormulaC12H23N3O
Molecular Mass225.1841
SMILESNCCCCC1NCCC2CCCN2C1=O
InChI KeyXTQDQGJZOXHONP-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 heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepanes
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • 1,4-diazepane
  • diazepane
  • aliphatic heteropolycyclic compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine