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BioLiP

PDB CCD ID: WZ1
Number of entries in BioLiP: 0
Chemical formula: C13 H24 O10 S
InChI: InChI=1S/C13H24O10S/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
InChIKey: SCFDSIKLIGFXRA-ZEEOCKJESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
ACDLabs 10.04S(C1C(O)C(OC)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)SC2C(C(C(C(O2)CO)O)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Name:methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside;
Methyl(alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside
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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