CHEBI:15564 - (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid

ChEBI IDCHEBI:15564
ChEBI Name(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
Stars
ASCII Name(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
Secondary ChEBI IDsCHEBI:217, CHEBI:10828, CHEBI:10892, CHEBI:12796, CHEBI:18573, CHEBI:23295, CHEBI:29070
Last Modified29 August 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8O6
Net Charge0
Average Mass200.146
Monoisotopic Mass200.03209
SMILESO=C(O)C1=C[C@H](O)[C@@](O)(C(=O)O)C=C1
InChIInChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/t5-,8+/m0/s1
InChIKeyUKFMEOHAOCKDOL-YLWLKBPMSA-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)
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (CHEBI:15564) is a cyclohexadienedicarboxylic acid (CHEBI:36194)
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (CHEBI:15564) is conjugate acid of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate (CHEBI:57412)
Incoming Relation(s)
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate (CHEBI:57412) is conjugate base of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (CHEBI:15564)
IUPAC Name 
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
Synonyms  Source
(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylateKEGG COMPOUND
(1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylateKEGG COMPOUND
Terephthalate-1,2-cis-dihydrodiolKEGG COMPOUND
cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylateKEGG COMPOUND
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylateChEBI
(1R,6S)-dihydroxycyclohexa-2,4-diene-1,4-dicarboxylateChEBI
Manual XrefsDatabases
C06318KEGG COMPOUND
C06318KEGG COMPOUND
c0185UM-BBD
Registry NumbersSources
CAS:161578-47-8KEGG COMPOUND