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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:28 UTC
Update Date2025-03-25 00:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227652
Frequency0.5
Structure
Chemical FormulaC7H11NO3
Molecular Mass157.0739
SMILESCC(=O)N1CC(=O)OC(C)C1
InChI KeySSVZYXZALGYPJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • morpholines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactone
  • organic oxide
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • alpha-amino acid ester
  • azacycle
  • carboxamide group
  • oxazinane
  • oxacycle
  • morpholine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound