BioLiP

PDB

BioLiP

PDB CCD ID:

P0J

Number of entries in BioLiP:

Chemical formula:

H4 O12 P4

InChI:

InChI=1S/H4O12P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)

InChIKey:

GIXFALHDORQSOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O1
OpenEye OEToolkits 2.0.7	OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O
ACDLabs 12.01	O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O

Name:

2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone

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).