EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58237 - cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−)

Default Structure
ChEBI IDCHEBI:58237
ChEBI Namecis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−)
Stars
ASCII Namecis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2-)
DefinitionA dicarboxylic acid dianion arising from deprotonation of the carboxy groups of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid; major species at pH 7.3.
Last Modified13 July 2014
DownloadsMolfile
FormulaC8H6O6
Net Charge-2
Average Mass198.130
Monoisotopic Mass198.01754
SMILESO=C([O-])C1=C[C@@H](O)[C@@H](O)C=C1C(=O)[O-]
InChIInChI=1S/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/p-2/t5-,6+
InChIKeyMFSRJRFDIILHFC-OLQVQODUSA-L
ChEBI Ontology
Outgoing Relation(s)
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−) (CHEBI:58237) is a dicarboxylic acid dianion (CHEBI:28965)
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−) (CHEBI:58237) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−) (CHEBI:58237) is conjugate base of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid (CHEBI:17692)
Incoming Relation(s)
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid (CHEBI:17692) is conjugate acid of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2−) (CHEBI:58237)
IUPAC Name 
rel-(4R,5S)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate
Synonyms  Source
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylateChEBI
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate dianionChEBI
UniProt Name  Source
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylateUniProt