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BioLiP

PDB CCD ID: ZH1
Number of entries in BioLiP: 5
Chemical formula: C20 H22 O8
InChI: InChI=1S/C20H22O8/c1-26-19(25)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey: GDSLRMGPZWIAEZ-JGLNRKDHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
CACTVS 3.370COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
OpenEye OEToolkits 1.7.0COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CACTVS 3.370COC(=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2
ACDLabs 12.01O=C(OC)c1cccc(c1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
Name:methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate
ChEMBL: CHEMBL1171277
ZINC: ZINC000064321342
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).
  • 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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