CHEBI:77021 - cellobionic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cellobionic acid
ChEBI ID CHEBI:77021
Definition A disaccharide consisting β-D-glucosyl and D-gluconic acid residues joined by a (1→4)-linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H22O12
Net Charge 0
Average Mass 358.29590
Monoisotopic Mass 358.11113
InChI InChI=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
InChIKey JYTUSYBCFIZPBE-ZNLUKOTNSA-N
SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 cellobionate (CHEBI:76825) is conjugate base of cellobionic acid (CHEBI:77021)
IUPAC Name
β-D-glucopyranosyl-(1→4)-D-gluconic acid
Synonyms Sources
4-O-β-D-glucopyranosyl-D-gluconic acid IUPAC
4-O-β-D-glucosyl-D-gluconic acid ChEBI
β-D-glucosyl-(1→4)-D-gluconic acid ChEBI
Maltobionic acid ChemIDplus
Registry Numbers Types Sources
534-41-8 CAS Registry Number ChemIDplus
95054 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19184595 PubMed citation Europe PMC
22546481 PubMed citation Europe PMC
4803827 PubMed citation Europe PMC
5789873 PubMed citation Europe PMC
IND23333198 Agricola citation Europe PMC
Last Modified
17 January 2014