**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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

Properties Image MNX_ID MNXM59651 reference chebi:76825 formula C12H21O12 global charge -1 mol weight 357.288 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 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [C@@H:1]1([CH2:7][OH:24])[C@@H:2]([CH3:10])[C@@H:3]([CH3:8])[C@@H:4]([CH3:11])[C@H:5]([CH2:9][C@@H:12]([O:15]([O:14][OH:13])[OH:20])[O:16]([O:17]([O:18]([OH:19])=[O:22])[OH:23])[OH:21])[CH2:6]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:76825 chebi:76825 JYTUSYBCFIZPBE-ZNLUKOTNSA-M	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 JYTUSYBCFIZPBE-ZNLUKOTNSA-M	4-O-beta-D-glucopyranosyl-D-gluconate cellobionate cellobionic acid
kegg.compound:C20888 keggC:C20888 JYTUSYBCFIZPBE-ZNLUKOTNSA-N	Cellobionate 4-O-beta-D-Glucopyranosyl-D-gluconate Cellobionic acid
sabiork.compound:29866 sabiorkM:29866 JYTUSYBCFIZPBE-ZNLUKOTNSA-M	Cellobionic acid 4-O-beta-D-Glucopyranosyl-D-gluconate
metacyc.compound:CPD-16182 metacycM:CPD-16182 JYTUSYBCFIZPBE-ZNLUKOTNSA-M	cellobionate 4-O-beta-D-glucopyranosyl-D-gluconate cellobionic acid
CHEBI:77021 chebi:77021 JYTUSYBCFIZPBE-ZNLUKOTNSA-N	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