Hmdb loader

Showing information for DMID00094011

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:20 UTC
Update Date2025-03-21 18:33:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094011
Frequency29.6
Structure
Chemical FormulaC13H16ClN3O5S
Molecular Mass361.0499
SMILESCC(=O)N1CCN(c2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)CC1
InChI KeyWUBMNTCFDBGXPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 4-halobenzoic acids
  • acetamides
  • amino acids
  • aminobenzenesulfonamides
  • aminobenzoic acids and derivatives
  • aminosulfonyl compounds
  • aniline and substituted anilines
  • aryl chlorides
  • azacyclic compounds
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • chlorobenzenes
  • dialkylarylamines
  • halobenzoic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • tertiary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • amino acid or derivatives
  • organochloride
  • benzoyl
  • organonitrogen compound
  • 1-carboxy-2-haloaromatic compound
  • aminobenzoic acid or derivatives
  • acetamide
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • halobenzoic acid
  • benzenesulfonamide
  • 4-halobenzoic acid
  • azacycle
  • aryl halide
  • phenylpiperazine
  • 4-halobenzoic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • amine
  • organosulfonic acid or derivatives
  • carbonyl group
  • aminobenzenesulfonamide
  • aromatic heteromonocyclic compound
  • amino acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • benzoic acid
  • dialkylarylamine
  • tertiary amine
  • aminosulfonyl compound
  • aniline or substituted anilines
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • carboxamide group
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • benzenoid
  • organic nitrogen compound
  • n-arylpiperazine
  • organooxygen compound