Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:27 UTC
Update Date2025-03-21 18:00:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030027
Frequency123.9
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCN(C)CC1CCC(=O)O1
InChI KeyFIALIDNIKYJWRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • amino acid or derivatives
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound