Hmdb loader

Showing information for DMID02191285

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:38 UTC
Update Date2025-03-25 00:52:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191285
Frequency0.5
Structure
Chemical FormulaC17H24N2O11S
Molecular Mass464.1101
SMILESCC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1Oc1ccc(CC(N)C(=O)O)cc1
InChI KeyWEPBHZUEGBBCOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • alkyl sulfates
  • alpha amino acids
  • amphetamines and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • phenylalanine and derivatives
  • phenylpropanoic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • monosaccharide
  • alpha-amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • acetamide
  • amphetamine or derivatives
  • alcohol
  • organic sulfuric acid or derivatives
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • phenylalanine or derivatives
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester