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BioLiP

PDB CCD ID: 1LL
Number of entries in BioLiP: 0
Chemical formula: C12 H22 O10 S
InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11+,12+/m1/s1
InChIKey: SYKYBMOFPMXDRQ-RUDFYBKXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O
ACDLabs 12.01O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
Name:thioditaloside;
beta-D-talopyranosyl 1-thio-beta-D-talopyranoside
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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