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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:51 UTC
Update Date2025-03-21 18:37:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114827
Frequency23.0
Structure
Chemical FormulaC12H15NO4S
Molecular Mass269.0722
SMILESO=C(O)CCCCC1Nc2ccccc2S1(=O)=O
InChI KeyTWNKWJXBNUFZQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alkylarylamines
  • sulfones
  • thiazoles
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • benzo-thiazole
  • organopnictogen compound
  • medium-chain fatty acid
  • 1,3-benzothiazole
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • thiazole
  • organooxygen compound
  • amine
  • sulfone