CHEBI:57640 - 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate
ChEBI ID CHEBI:57640
Definition The conjugate base of 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H9O4
Net Charge -1
Average Mass 169.15470
Monoisotopic Mass 169.05063
InChI InChI=1S/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)/p-1
InChIKey LHEBXDITPBTHSR-UHFFFAOYSA-M
SMILES CC1=CC=CC(O)C1(O)C([O-])=O
ChEBI Ontology
Outgoing 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:57640) is a monocarboxylic acid anion (CHEBI:35757)
1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:57640) is conjugate base of 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:16100)
Incoming 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:16100) is conjugate acid of 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:57640)
IUPAC Name
1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate
Synonym Source
1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylate UniProt
Last Modified
13 November 2017