Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:19 UTC
Update Date2025-03-25 00:51:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190617
Frequency0.5
Structure
Chemical FormulaC12H18N2O4S
Molecular Mass286.0987
SMILESC=CC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O
InChI KeyQXSDTUQJNOWNON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbiotin and derivatives
Subclass biotin and derivatives
Direct Parent biotin and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acryloyl compounds
  • azacyclic compounds
  • enones
  • hydrocarbon derivatives
  • imidazolidinones
  • ketones
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfones
  • thienoimidazolidines
  • thiolanes
  • thiophenes
  • Substituents
  • thiolane
  • imidazolidine
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • alpha,beta-unsaturated ketone
  • thienoimidazolidine
  • thiophene
  • ketone
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • biotin_derivative
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organooxygen compound
  • sulfone
  • enone