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CHEBI:49008 - (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid

ChEBI IDCHEBI:49008
ChEBI Name(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
Stars
ASCII Name(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
DefinitionThe (1R,6S)-diastereomer of 1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid.
Last Modified23 April 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCC1=C[C@H](O)[C@@](O)(C(=O)O)C=C1
InChIInChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)/t6-,8+/m0/s1
InChIKeyKWQSYZVAOWYCNP-POYBYMJQSA-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)
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008) is a cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:17095)
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008) is conjugate acid of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:58768)
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008) is enantiomer of (1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49009)
Incoming Relation(s)
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:58768) is conjugate base of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008)
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49009) is enantiomer of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008)
IUPAC Name 
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid