Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:55 UTC
Update Date2025-03-21 17:57:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00010644
Frequency440.9
Structure
Chemical FormulaC4H9NO5S
Molecular Mass183.0201
SMILESCCN(CC(=O)O)S(=O)(=O)O
InChI KeyHNOIRALIAVPREJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfuric acid monoamides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • sulfuric acid monoamide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound