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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:03:11 UTC
Update Date2025-03-24 20:35:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01497131
Frequency0.9
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESO=C(O)C1=NC2CNC2C1
InChI KeyBCWITKVUCIGPBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,4-diazepines
Direct Parent 1,4-diazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • azetidine
  • monocarboxylic acid or derivatives
  • para-diazepine
  • pyrroline
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine