Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:53:03 UTC
Update Date2025-03-24 21:23:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01761240
Frequency0.7
Structure
Chemical FormulaC4H8ClNO
Molecular Mass121.0294
SMILESCN(C)CC(=O)Cl
InChI KeyVTYRPALGSNDUQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl chlorides
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organochloride
  • tertiary aliphatic amine
  • organohalogen compound
  • acyl halide
  • organic oxide
  • organic oxygen compound
  • acyl chloride
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound