BioLiP

PDB

BioLiP

PDB CCD ID:

Z4U

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4 S

InChI:

InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1

InChIKey:

YRXSBQDFUVBYAI-MOJAZDJTSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CO[C@H]1OC[C@@H](S)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6	CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O
ACDLabs 12.01	OC1C(O)C(S)COC1OC
CACTVS 3.370	CO[CH]1OC[CH](S)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	COC1C(C(C(CO1)S)O)O

Name:

methyl 4-thio-alpha-D-xylopyranoside

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).