EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170071 - Xylenesulfonate

ChEBI IDCHEBI:170071
ChEBI NameXylenesulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H9O3S
Net Charge-1
Average Mass185.224
Monoisotopic Mass185.02779
SMILESCc1cccc(S(=O)(=O)[O-])c1C
InChIInChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)/p-1
InChIKeyZZXDRXVIRVJQBT-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
Xylenesulfonate (CHEBI:170071) is a organosulfur compound (CHEBI:33261)
Xylenesulfonate (CHEBI:170071) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
2,3-dimethylbenzenesulonate
Manual XrefsDatabases
11225658ChemSpider