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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:34:03 UTC
Update Date2025-03-21 17:56:28 UTC
HMDB IDHMDB0001406
Metabolite Identification
DeepMet IDDMID00001595
NameNiacinamide
Frequency3858.4
Structure
Chemical FormulaC6H6N2O
Molecular Mass122.048
SMILESNC(=O)c1cccnc1
InChI KeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nicotinamides
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • pyridine carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • azacycle
  • nicotinamide
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound