Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:01 UTC
Update Date2025-03-21 18:41:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136375
Frequency18.4
Structure
Chemical FormulaC6H12N2O3S
Molecular Mass192.0569
SMILESCN(CC(=O)O)C(=O)C(N)CS
InChI KeyDALQGQBNGGQPGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass peptoid-peptide hybrids
Direct Parent peptoid-peptide hybrids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha amino acid amides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • cysteine and derivatives
  • dipeptides
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • tertiary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • n-acyl-alpha amino acid or derivatives
  • peptoid/peptide hybrid
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • carboxamide group
  • alpha-dipeptide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • cysteine or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound