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BioLiP

PDB CCD ID: 2WS
Number of entries in BioLiP: 0
Chemical formula: C15 H26 O13
InChI: InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
InChIKey: JCSJTDYCNQHPRJ-MMDFAQQLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O
CACTVS 3.385O[CH]1CO[CH](O[CH]2CO[CH](O[CH]3CO[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
Name:beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
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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