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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:57 UTC
Update Date2025-03-21 18:38:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122238
Frequency21.2
Structure
Chemical FormulaC7H11NO6
Molecular Mass205.0586
SMILESCC(=O)NC1OC(O)(C(=O)O)CC1O
InChI KeyDFUYPLALRGKMTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass alpha hydroxy acids and derivatives
Direct Parent alpha hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • alpha-hydroxy acid
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound