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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:03 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171704
Frequency0.5
Structure
Chemical FormulaC7H13NO5
Molecular Mass191.0794
SMILESCN(C)C(O)(CCC(=O)O)C(=O)O
InChI KeyVYTHFKBUSQPESG-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
  • alkanolamines
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • fatty acid
  • hydroxy acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine