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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:57:25 UTC
Update Date2025-03-21 18:05:17 UTC
HMDB IDHMDB0254400
Metabolite Identification
DeepMet IDDMID00056010
Name3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
Frequency57.0
Structure
Chemical FormulaC6H13NO3
Molecular Mass147.0895
SMILESCN1CC(O)C(O)C1CO
InChI KeyUBVOJPDDTVFNFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • amine
  • tertiary amine
  • organooxygen compound