EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109632 - 5-[3-[[[[3-(dimethylamino)phenyl]-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid

ChEBI IDCHEBI:109632
ChEBI Name5-[3-[[[[3-(dimethylamino)phenyl]-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid
Stars
DownloadsMolfile
FormulaC24H24N4O5
Net Charge0
Average Mass448.479
Monoisotopic Mass448.17467
SMILESCc1cc(C=NNC(=O)c2cccc(N(C)C)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C24H24N4O5/c1-14-8-19(13-25-26-22(29)16-6-5-7-20(10-16)27(3)4)15(2)28(14)21-11-17(23(30)31)9-18(12-21)24(32)33/h5-13H,1-4H3,(H,26,29)(H,30,31)(H,32,33)
InChIKeyIGIJYSJRSGLAGQ-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-[3-[[[[3-(dimethylamino)phenyl]-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid (CHEBI:109632) is a 2-hydroxyisophthalic acid (CHEBI:19643)
Manual XrefsDatabases
LSM-21060LINCS