Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:21 UTC
Update Date2025-03-25 00:50:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181598
Frequency0.5
Structure
Chemical FormulaC9H16O6S
Molecular Mass252.0668
SMILESO=C(O)CCSCC1OC(O)C(O)CC1O
InChI KeyZLMHFYZEDQEQHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfenyl compounds
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • monosaccharide
  • organosulfur compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioether
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound