Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:10 UTC
Update Date2025-03-25 00:48:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167440
Frequency0.5
Structure
Chemical FormulaC9H16N2O6
Molecular Mass248.1008
SMILESCC(=O)NC1OC(CO)OC(O)C1NC(C)=O
InChI KeyJYCLMMMRCSRRGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,3-dioxanes
Direct Parent 1,3-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • meta-dioxane
  • acetamide
  • organooxygen compound