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CHEBI:17692 - cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:17692
ChEBI Namecis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
Stars
ASCII Namecis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
Secondary ChEBI IDsCHEBI:10476, CHEBI:12804, CHEBI:26091
Last Modified10 January 2019
DownloadsMolfile
FormulaC8H8O6
Net Charge0
Average Mass200.146
Monoisotopic Mass200.03209
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)/t5-,6+
InChIKeyMFSRJRFDIILHFC-OLQVQODUSA-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)
cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid (CHEBI:17692) is a cyclohexadienedicarboxylic acid (CHEBI:36194)
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)
Incoming Relation(s)
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)
IUPAC Name 
rel-(4R,5S)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
Synonyms  Source
cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylateKEGG COMPOUND
Phthalate-4,5-cis-dihydrodiolKEGG COMPOUND
Manual XrefsDatabases
c0182UM-BBD
C04783KEGG COMPOUND
Registry NumbersSources
CAS:130073-64-2KEGG COMPOUND