Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:53 UTC
Update Date2025-03-21 18:40:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131559
Frequency19.2
Structure
Chemical FormulaC8H15NO3
Molecular Mass173.1052
SMILESNCC1CCC(C(=O)O)C(O)C1
InChI KeyRAMLPQKFNFSSPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound