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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:12 UTC
Update Date2025-03-21 18:40:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129902
Frequency19.6
Structure
Chemical FormulaC9H13NO3S
Molecular Mass215.0616
SMILESO=C(O)CCCCC(=O)C1=NCCS1
InChI KeyBMKIOFQTDNOPCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • meta-thiazoline
  • azacycle
  • heterocyclic fatty acid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound