BioLiP

PDB

BioLiP

PDB CCD ID:

5TH

Number of entries in BioLiP:

Chemical formula:

C6 H12 O10 S2

InChI:

InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)3(8)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5-,6+/m1/s1

InChIKey:

OPPADQYGDDCNPC-RXRWUWDJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C(C1C(C(C(C(O1)O)OS(=O)(=O)O)O)OSO)O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1OSO
CACTVS 3.385	OC[C@H]1O[C@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O)[C@@H]1OSO
OpenEye OEToolkits 2.0.4	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O

Name:

[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate;
[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate

ZINC:

ZINC000584905293

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).