Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:09 UTC
Update Date2025-03-21 18:04:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053122
Frequency61.0
Structure
Chemical FormulaC10H13N3O2
Molecular Mass207.1008
SMILESCN(CC(=O)O)C(=N)Nc1ccccc1
InChI KeyLNBGQNDQJLMJNH-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 homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • guanidine
  • imine
  • carboximidamide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound