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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:52:47 UTC
Update Date2025-03-21 18:03:36 UTC
HMDB IDHMDB0029611
Metabolite Identification
DeepMet IDDMID00045270
NameAsparagusic acid
Frequency74.4
Structure
Chemical FormulaC4H6O2S2
Molecular Mass149.9809
SMILESO=C(O)C1CSSC1
InChI KeyAYGMEFRECNWRJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass 1,2-dithiolanes
Direct Parent 1,2-dithiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic disulfides
  • organic oxides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • 1,2-dithiolane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound