Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:48:24 UTC
Update Date2025-03-25 00:25:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01319335
Frequency1.0
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCC1=C(C=O)CC(C)(C)N1
InChI KeyWKCRXVQHWHYDIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • aldehyde
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine