Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:52 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153173
Frequency0.5
Structure
Chemical FormulaC4H6N2OS2
Molecular Mass161.9922
SMILESNC(=O)C1=NCSSC1
InChI KeyORGZICOPHONRFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent primary carboxylic acid amides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketimines
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • primary carboxylic acid amide
  • ketimine
  • carbonyl group
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound