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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:77021 - cellobionic acid
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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
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