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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:57 UTC
Update Date2025-03-25 00:49:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171481
Frequency0.5
Structure
Chemical FormulaC7H13NO5
Molecular Mass191.0794
SMILESCN(CC(=O)O)CC(C)(O)C(=O)O
InChI KeyQLKGUBPBJYBFIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • alpha-hydroxy acid
  • tertiary aliphatic amine
  • hydroxy acid
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • alpha-amino acid
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound