BioLiP

PDB

BioLiP

PDB CCD ID:

U8W

Number of entries in BioLiP:

Chemical formula:

C6 H15 O11 P S

InChI:

InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1

InChIKey:

VHZSENSKSCIIQU-SLPGGIOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O
CACTVS 3.385	O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	C(C(C(C(C(CS(=O)(=O)O)O)O)O)O)OP(=O)(O)O

Name:

(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid

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).