Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:11:58 UTC
Update Date2025-03-24 16:42:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00942996
Frequency1.5
Structure
Chemical FormulaC6H12S
Molecular Mass116.066
SMILESC[SH]=CC=C(C)C
InChI KeyHNSQIKQSKPFOJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioaldehydes
Direct Parent thioaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • thioaldehyde
  • hydrocarbon derivative
  • alkylthiol