Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:21 UTC
Update Date2025-03-21 18:31:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084570
Frequency33.9
Structure
Chemical FormulaC9H15N3O2S2
Molecular Mass261.0606
SMILESNC(=O)CCCCC1SSC2NC(=O)NC12
InChI KeySNYGFFTUMRREIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass lipoamides
Direct Parent lipoamides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • imidazolidinones
  • organic carbonic acids and derivatives
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • imidazolidine
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • fatty amide
  • carboxamide group
  • carboxylic acid derivative
  • 1,2-dithiolane
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • organonitrogen compound
  • lipoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound