Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:38 UTC
Update Date2025-03-21 18:36:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109486
Frequency24.4
Structure
Chemical FormulaC12H18N2O11
Molecular Mass366.0911
SMILESNC(CC(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI KeyIYIVKXMBWAAUFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid glycopeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acyl glycines
  • alpha amino acids
  • alpha-amino acyl ester of carbohydrates
  • asparagine and derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • fatty amide
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • asparagine or derivatives
  • oxane
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • pyran carboxylic acid or derivatives
  • alpha-amino acid ester
  • n-acyl-alpha-amino acid
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • hybrid glycopeptide
  • alpha-amino acyl ester of carbohydrate
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound