EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77021 - cellobionic acid

ChEBI IDCHEBI:77021
ChEBI Namecellobionic acid
Stars
DefinitionA disaccharide consisting β-D-glucosyl and D-gluconic acid residues joined by a (1→4)-linkage.
Last Modified17 January 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H22O12
Net Charge0
Average Mass358.296
Monoisotopic Mass358.11113
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
WURCSWURCS=2.0/2,2,1/[A2122h][a2122h-1b_1-5]/1-2/a4-b1
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)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
InChIKeyJYTUSYBCFIZPBE-ZNLUKOTNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cellobionic acid (CHEBI:77021) has functional parent cellobiose (CHEBI:17057)
cellobionic acid (CHEBI:77021) has role metabolite (CHEBI:25212)
cellobionic acid (CHEBI:77021) is a carbohydrate acid (CHEBI:33720)
cellobionic acid (CHEBI:77021) is a disaccharide (CHEBI:36233)
cellobionic acid (CHEBI:77021) is conjugate acid of cellobionate (CHEBI:76825)
Incoming Relation(s)
cellobionate (CHEBI:76825) is conjugate base of cellobionic acid (CHEBI:77021)
IUPAC Name 
β-D-glucopyranosyl-(1→4)-D-gluconic acid
Synonyms  Source
4-O-β-D-glucopyranosyl-D-gluconic acidIUPAC
4-O-β-D-glucosyl-D-gluconic acidChEBI
Maltobionic acidChemIDplus
β-D-glucosyl-(1→4)-D-gluconic acidChEBI
Registry NumbersSources
Reaxys:95054Reaxys
CAS:534-41-8ChemIDplus
Citations