EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123183 - 5-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonylamino]benzene-1,3-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:123183
ChEBI Name5-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonylamino]benzene-1,3-dicarboxylic acid
Stars
DownloadsMolfile
FormulaC18H15N3O8S
Net Charge0
Average Mass433.398
Monoisotopic Mass433.05799
SMILESCn1c(=O)c2cc(S(=O)(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)ccc2n(C)c1=O
InChIInChI=1S/C18H15N3O8S/c1-20-14-4-3-12(8-13(14)15(22)21(2)18(20)27)30(28,29)19-11-6-9(16(23)24)5-10(7-11)17(25)26/h3-8,19H,1-2H3,(H,23,24)(H,25,26)
InChIKeyGWEWBNCJANBPIC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonylamino]benzene-1,3-dicarboxylic acid (CHEBI:123183) is a 2-hydroxyisophthalic acid (CHEBI:19643)
Manual XrefsDatabases
LSM-34625LINCS