Hmdb loader

Showing information for DMID01990522

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:29:55 UTC
Update Date2025-03-24 22:06:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01990522
Frequency0.6
Structure
Chemical FormulaC52H87N3O39
Molecular Mass1377.4917
SMILESCC(=O)NC1C(O)CC(OCC2OC(OOC3C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4NC(C)=O)C(O)C(OC4OC(C)C(O)C(O)C4O)C3CO)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyBXBAHYIGMOMZNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • dialkyl peroxides
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • ketal
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound