Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:37:54 UTC
Update Date2025-03-24 13:59:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00717527
Frequency2.1
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESNC1COCC1C(=O)O
InChI KeyACCUSSMGNVVSBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • tetrahydrofuran
  • beta amino acid or derivatives
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound