EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:143337 - (2R,3R,4R,5S)-6-{4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:143337
ChEBI Name(2R,3R,4R,5S)-6-{4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC18H19ClN2O11S
Net Charge0
Average Mass506.873
Monoisotopic Mass506.03981
SMILESNS(=O)(=O)c1cc(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18?/m0/s1
InChIKeyRNVHHPUYELVHRE-ZBCYVVTKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-6-{4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143337) is a glucosiduronic acid (CHEBI:24302)