Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:45 UTC
Update Date2025-03-25 00:47:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164134
Frequency0.5
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESCC1=C(C=O)N(C)CC1
InChI KeyKOLMTGAXMZWCJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrroline carboxylic acids and derivatives
Direct Parent pyrroline carboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • carbonyl group
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • tertiary aliphatic amine
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine