Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:42 UTC
Update Date2025-03-21 18:33:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097336
Frequency28.3
Structure
Chemical FormulaC8H13NO5
Molecular Mass203.0794
SMILESCCOC(=O)C(CC(=O)O)NC(C)=O
InChI KeySESRLZSBFWXHRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acid esters
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • acetamide
  • n-acyl-alpha amino acid or derivatives
  • alpha-amino acid ester
  • n-acyl-alpha-amino acid
  • carboxamide group
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • aspartic acid or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound