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CHEBI:76825 - cellobionate

ChEBI IDCHEBI:76825
ChEBI Namecellobionate
Stars
DefinitionA carbohydrate acid anion that is the conjugate base of cellobionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified17 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H21O12
Net Charge-1
Average Mass357.288
Monoisotopic Mass357.10385
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/p-1/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
InChIKeyJYTUSYBCFIZPBE-ZNLUKOTNSA-M
ChEBI Ontology
Outgoing Relation(s)
cellobionate (CHEBI:76825) is a carbohydrate acid anion (CHEBI:33721)
cellobionate (CHEBI:76825) is conjugate base of cellobionic acid (CHEBI:77021)
Incoming Relation(s)
cellobionic acid (CHEBI:77021) is conjugate acid of cellobionate (CHEBI:76825)
IUPAC Name 
β-D-glucopyranosyl-(1→4)-D-gluconate
Synonyms  Source
4-O-β-D-glucosyl-D-gluconateSUBMITTER
β-D-glucosyl-(1→4)-D-gluconateChEBI
UniProt Name  Source
4-O-β-D-glucopyranosyl-D-gluconateUniProt
Manual XrefsDatabases
CPD-16182MetaCyc
Citations