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BioLiP

PDB CCD ID: LSE
Number of entries in BioLiP: 5
Chemical formula: C18 H36 O10 Se Si
InChI: InChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChIKey: DAHDBHYUNUXOAL-MUKCROHVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.385C[Se]C[CH]1O[CH](OCC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
ACDLabs 12.01O(C1C(OC(OCC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
CACTVS 3.385C[Se]C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Name:2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
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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