BioLiP

PDB

BioLiP

PDB CCD ID:

P0S

Number of entries in BioLiP:

Chemical formula:

H6 O18 P6

InChI:

InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)

InChIKey:

SZGVJLCXTSBVKL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O1
ACDLabs 12.01	O=P1(OP(=O)(O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O)O
OpenEye OEToolkits 2.0.7	OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O

Name:

2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone

ZINC:

ZINC000257373260

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).