Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:09 UTC
Update Date2025-03-25 00:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156160
Frequency0.5
Structure
Chemical FormulaC11H19N3O4S3
Molecular Mass353.0538
SMILESCSCCC(NC(=O)C1CSSCC(N)C(=O)N1)C(=O)O
InChI KeyXTULSYQNEHDLAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • lactams
  • methionine and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • peptides
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thia fatty acids
  • Substituents
  • fatty acyl
  • carbonyl group
  • lactam
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • alpha peptide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • sulfenyl compound
  • azacycle
  • n-acyl-alpha-amino acid
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • organic disulfide
  • methionine or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound