Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:39 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157243
Frequency0.5
Structure
Chemical FormulaC15H17N3O2
Molecular Mass271.1321
SMILESO=C1CCCNC(=O)C(Cc2c[nH]c3ccccc23)N1
InChI KeyGNGWDJJUKVQBQS-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 aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • indole
  • heteroaromatic compound
  • indole or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound