Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:31 UTC
Update Date2025-03-21 18:34:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101774
Frequency26.8
Structure
Chemical FormulaC6H9NO5
Molecular Mass175.0481
SMILESCN(C=O)C(CC(=O)O)C(=O)O
InChI KeyPRELURIFTNCAHU-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
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • n-formyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • carboxamide group
  • organic oxide
  • organic oxygen compound
  • n-formyl-alpha-amino acid
  • tertiary carboxylic acid amide
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound