Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:06:34 UTC
Update Date2025-03-24 22:30:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01219134
Frequency1.1
Structure
Chemical FormulaC4H12N2OS
Molecular Mass136.067
SMILESNC(O)C(N)CCS
InChI KeyPQCCPBMCQQPEPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent hemiaminals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • organosulfur compound
  • hemiaminal
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • alkylthiol
  • organooxygen compound