SEQ2FUN

BioLiP

PDB CCD ID: BXP
Number of entries in BioLiP: 0
Chemical formula: C10 H18 O9
InChI: InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
InChIKey: LGQKSQQRKHFMLI-SJYYZXOBSA-N
SMILES:
SoftwareSMILES
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)O)O)O
CACTVS 3.370O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
CACTVS 3.370O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
ACDLabs 12.01O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O
OpenEye OEToolkits 1.7.6C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O
Name:4-O-beta-D-xylopyranosyl-beta-D-xylopyranose;
XYLOBIOSE

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).