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CHEBI:48968 - (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid

ChEBI IDCHEBI:48968
ChEBI Name(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid
Stars
ASCII Name(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid
DefinitionThe (2S,3S)-diastereomer of 2,3-dihydroxy-2,3-dihydrobenzoic acid.
Last Modified21 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESO=C(O)C1=CC=C[C@H](O)[C@H]1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m0/s1
InChIKeyINCSWYKICIYAHB-WDSKDSINSA-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)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968) is a 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968) is conjugate acid of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:58764)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968) is enantiomer of (2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969)
Incoming Relation(s)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:58764) is conjugate base of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968)
(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969) is enantiomer of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968)
IUPAC Name 
(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Manual XrefsDatabases
C04171KEGG COMPOUND
C00000737KNApSAcK
Registry NumbersSources
Beilstein:2937647Beilstein