BioLiP

PDB

BioLiP

PDB CCD ID:

TWY

Number of entries in BioLiP:

Chemical formula:

C5 H10 O4 S

InChI:

InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1

InChIKey:

MFDZOCXKSSGEBR-KKQCNMDGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H]1OC[C@@H](S)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7	C1C(C(C(C(O1)O)O)O)S
OpenEye OEToolkits 2.0.7	C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S
CACTVS 3.385	O[CH]1OC[CH](S)[CH](O)[CH]1O
ACDLabs 12.01	SC1C(C(C(OC1)O)O)O

Name:

4-thio-beta-D-xylopyranose

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).