Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:36 UTC
Update Date2025-03-21 18:33:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094651
Frequency29.4
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESNC1C(=O)OCC1O
InChI KeyJWYJRISKBFDBGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • alpha-amino acid ester
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound