BioLiP

PDB

BioLiP

PDB CCD ID:

DSR

Number of entries in BioLiP:

Chemical formula:

C6 H12 O3 S

InChI:

InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1

InChIKey:

PYIPBDQDMFBTIQ-JGWLITMVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(CC(O1)O)O)S
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S
CACTVS 3.341	C[CH]1O[CH](O)C[CH](O)[CH]1S
CACTVS 3.341	C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1S
ACDLabs 10.04	SC1C(OC(O)CC1O)C

Name:

2,6-dideoxy-4-thio-beta-D-allopyranose;
2,6-dideoxy-4-thio-beta-D-allose;
2,6-dideoxy-4-thio-D-allose;
2,6-dideoxy-4-thio-allose

ZINC:

ZINC000005888595

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).