CHEBI:17641 - 1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid
ChEBI ID CHEBI:17641
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18951, CHEBI:11181, CHEBI:553
Supplier Information
Download Molfile XML SDF
Formula C8H10O4
Net Charge 0
Average Mass 170.16260
Monoisotopic Mass 170.05791
InChI InChI=1S/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)
InChIKey AXRMZRLNCOVFJZ-UHFFFAOYSA-N
SMILES CC1=CC=CC(O)(C1O)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 1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:17641) is a cyclohexadienecarboxylic acid (CHEBI:23468)
IUPAC Name
1,6-dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylic acid
Synonyms Sources
1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate KEGG COMPOUND
1,2-dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate ChEBI
1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate KEGG COMPOUND
Manual Xrefs Databases
c0244 UM-BBD
C06720 KEGG COMPOUND
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Last Modified
23 December 2018