Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:21 UTC
Update Date2025-03-25 00:47:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160959
Frequency0.5
Structure
Chemical FormulaC8H15NO5
Molecular Mass205.095
SMILESNC1C(O)CC(C(=O)C(O)O)CC1O
InChI KeyPJNQAWNVPZFRPP-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
  • 1,1-diols
  • carbonyl hydrates
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carbonyl hydrate
  • cyclohexanol
  • cyclic alcohol
  • 1,1-diol
  • ketone
  • organic oxide
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound