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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:14 UTC
Update Date2025-03-25 00:55:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211095
Frequency0.5
Structure
Chemical FormulaC9H13NO2S
Molecular Mass199.0667
SMILESCC(=O)CCCCC1=NC(=O)CS1
InChI KeyCSRYFVWWCZQTIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass thiazolines
Direct Parent thiazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • n-acylimines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • carbonyl group
  • meta-thiazoline
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound