benzene-1,3,5-tricarboxylate(1-) (CHEBI:33061)

EMBL-EBI | Chemical Biology | ChEBI

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

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:33061 - benzene-1,3,5-tricarboxylate(1−)

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:33061
ChEBI Name	benzene-1,3,5-tricarboxylate(1−)
Stars
ASCII Name	benzene-1,3,5-tricarboxylate(1-)
Last Modified	15 July 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C9H5O6
Net Charge	-1
Average Mass	209.133
Monoisotopic Mass	209.00916
SMILES	O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1
InChI	InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)/p-1
InChIKey	QMKYBPDZANOJGF-UHFFFAOYSA-M

ChEBI Ontology

Outgoing Relation(s)
	benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061) is a tricarboxylic acid monoanion (CHEBI:36299)
	benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061) is conjugate acid of benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060)
	benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061) is conjugate base of benzene-1,3,5-tricarboxylic acid (CHEBI:46032)
Incoming Relation(s)
	benzene-1,3,5-tricarboxylic acid (CHEBI:46032) is conjugate acid of benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061)
	benzene-1,3,5-tricarboxylate(2−) (CHEBI:33060) is conjugate base of benzene-1,3,5-tricarboxylate(1−) (CHEBI:33061)

IUPAC Name
3,5-dicarboxybenzoate

Registry Numbers	Sources
Gmelin:1655379	Gmelin