Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:18:34 UTC
Update Date2025-03-21 22:14:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00529050
Frequency3.2
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESNC1CCC(CO)OC1=O
InChI KeyBOZBJYCNDGTVLL-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
  • delta valerolactones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • carbonyl group
  • delta valerolactone
  • lactone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • alpha-amino acid ester
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound