CHEBI:58420 - cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate
ChEBI ID CHEBI:58420
ChEBI ASCII Name cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate
Definition Conjugate base of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H13O4
Net Charge -1
Average Mass 197.20780
Monoisotopic Mass 197.08138
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)/p-1/t8-,9+/m0/s1
InChIKey BUZNWVREDOAOGD-DTWKUNHWSA-M
SMILES CC(C)C1=CC=C([C@@H](O)[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate (CHEBI:58420) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
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)
Incoming 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)
IUPAC Name
rel-(5R,6S)-5,6-dihydroxy-4-(propan-2-yl)cyclohexa-1,3-diene-1-carboxylate
Synonym Source
(2R,3S)-2,3-dihydroxy-2,3-dihydro-p-cumate UniProt
Last Modified
14 November 2016