SEQ2FUN

BioLiP

PDB CCD ID: 6MJ
Number of entries in BioLiP: 3
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey: ZBDGHWFPLXXWRD-JGWLITMVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4COC1C(C(C(CO1)O)O)O
OpenEye OEToolkits 2.0.4CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
ACDLabs 12.01COC1OCC(C(C1O)O)O
CACTVS 3.385CO[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.385CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Name:methyl beta-D-xylopyranoside;
methyl beta-D-xyloside;
methyl D-xyloside;
methyl xyloside
ZINC: ZINC000013508746
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).