Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:28 UTC
Update Date2025-03-25 00:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181859
Frequency0.5
Structure
Chemical FormulaC10H15NO6
Molecular Mass245.0899
SMILESO=C(O)C(CO)NC(=O)C1(O)CC=CC(O)C1
InChI KeyNKZBWTAIDYFFAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • serine and derivatives
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • n-acyl-alpha-amino acid
  • hydroxy acid
  • carboxamide group
  • secondary carboxylic acid amide
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • serine or derivatives
  • organooxygen compound