Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:38:00 UTC
Update Date2025-03-21 19:59:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00292111
Frequency6.8
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCC1=C(C(=O)O)CC(C)N1
InChI KeyZVXOVPRMIQOAOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine