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4-O-beta-D-glucopyranosyl-D-gluconate

Properties

Image

Occurences in reactions

MNX_ID

MNXM59651

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₁₂H₂₁O₁₂

charge

-1

mass

357.10385

reference

chebi:76825

InChIKey

JYTUSYBCFIZPBE-ZNLUKOTNSA-M

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)/p-1/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1

SMILES

O=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76825 chebi:76825	4-O-beta-D-glucopyranosyl-D-gluconate 4-O-beta-D-glucosyl-D-gluconate beta-D-glucopyranosyl-(1->4)-D-gluconate beta-D-glucosyl-(1->4)-D-gluconate cellobionate
seed.compound:cpd32790 seedM:cpd32790	4-O-beta-D-glucopyranosyl-D-gluconate cellobionate cellobionic acid
kegg.compound:C20888 keggC:C20888	Cellobionate 4-O-beta-D-Glucopyranosyl-D-gluconate Cellobionic acid
sabiork.compound:29866 sabiorkM:29866	Cellobionic acid 4-O-beta-D-Glucopyranosyl-D-gluconate
metacyc.compound:CPD-16182 metacycM:CPD-16182	cellobionate 4-O-beta-D-glucopyranosyl-D-gluconate cellobionic acid
CHEBI:77021 chebi:77021	cellobionic acid 4-O-beta-D-glucopyranosyl-D-gluconic acid 4-O-beta-D-glucosyl-D-gluconic acid Maltobionic acid beta-D-glucopyranosyl-(1->4)-D-gluconic acid beta-D-glucosyl-(1->4)-D-gluconic acid
keggC:M_C20888 seedM:M_cpd32790	secondary/obsolete/fantasy identifier