Hmdb loader

Showing information for DMID00896561

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:52:35 UTC
Update Date2025-03-24 14:37:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00896561
Frequency1.6
Structure
Chemical FormulaC4H7N3O
Molecular Mass113.0589
SMILESNC(=O)C1=NCNC1
InChI KeyCAAOEMCOQGNBSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • primary carboxylic acid amide
  • ketimine
  • carbonyl group
  • amino acid or derivatives
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • carboxamide group
  • organic oxygen compound
  • imidazoline
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine