Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:26 UTC
Update Date2025-03-25 00:57:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223170
Frequency0.5
Structure
Chemical FormulaC6H11NO4S
Molecular Mass193.0409
SMILESNC1CSC(O)(C(=O)O)CC1O
InChI KeyDHCVPGSJTCGRLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • thianes
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • thiane