Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:36 UTC
Update Date2025-03-25 00:57:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223566
Frequency0.5
Structure
Chemical FormulaC4H11N3OS
Molecular Mass149.0623
SMILESNC(=O)C(N)C(N)CS
InChI KeyMLJHYXGAZBSAMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxamide group
  • beta amino acid or derivatives
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound