Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:29 UTC
Update Date2025-03-25 00:59:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234401
Frequency0.5
Structure
Chemical FormulaC7H13NO3
Molecular Mass159.0895
SMILESC[N+](C)([O-])CC1CCC(=O)O1
InChI KeyWQBXOQMVPVBQJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkyl amine oxides
  • trisubstituted amine oxides and derivatives
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • n-oxide
  • trialkyl amine oxide
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • trisubstituted n-oxide
  • aminoxide
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite