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BioLiP

PDB CCD ID: CEZ
Number of entries in BioLiP: 1
Chemical formula: C12 H22 O12
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:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
CACTVS 3.385OC[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
ACDLabs 12.01O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O
CACTVS 3.385OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
Name:4-O-beta-D-glucopyranosyl-D-gluconic acid;
cellobionic acid;
4-O-beta-D-glucosyl-D-gluconic acid;
4-O-D-glucosyl-D-gluconic acid;
4-O-glucosyl-D-gluconic acid
ZINC: ZINC000013548337
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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