CHEBI:18242 - cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid
ChEBI ID CHEBI:18242
ChEBI ASCII Name cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12805, CHEBI:23302, CHEBI:10466, CHEBI:23281
Supplier Information
Download Molfile XML SDF
Formula C10H14O4
Net Charge 0
Average Mass 198.21576
Monoisotopic Mass 198.08921
InChI InChI=1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/t8-,9+/m0/s1
InChIKey BUZNWVREDOAOGD-DTWKUNHWSA-N
SMILES CC(C)C1=CC=C([C@@H](O)[C@H]1O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is a cyclohexadienecarboxylic acid (CHEBI:23468)
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is conjugate acid of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate (CHEBI:58420)
Incoming cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate (CHEBI:58420) is conjugate base of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242)
IUPAC Name
rel-(5R,6S)-5,6-dihydroxy-4-(propan-2-yl)cyclohexa-1,3-diene-1-carboxylic acid
Synonyms Sources
(2S,3R)-2,3-dihydroxy-2,3-dihydro-p-cumate IUBMB
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate KEGG COMPOUND
cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate KEGG COMPOUND
Manual Xrefs Databases
c0379 UM-BBD
C06579 KEGG COMPOUND
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Last Modified
27 June 2014