Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:52 UTC
Update Date2025-03-21 18:02:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038244
Frequency91.6
Structure
Chemical FormulaC9H17N3O5S2
Molecular Mass311.061
SMILESNC(CSSCC(N)C(=O)NCCC(=O)O)C(=O)O
InChI KeySYXGUNYRBXMDCB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid peptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cysteine and derivatives
  • dialkyldisulfides
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • sulfenyl compound
  • alpha-amino acid amide
  • carboxamide group
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • dialkyldisulfide
  • organic oxygen compound
  • organic disulfide
  • cysteine or derivatives
  • dicarboxylic acid or derivatives
  • hybrid peptide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound