BioLiP

PDB

BioLiP

PDB CCD ID:

X6Z

Number of entries in BioLiP:

Chemical formula:

C7 H15 O9 P

InChI:

InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1

InChIKey:

KJZYYYMWKHTJAM-VEIUFWFVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CO[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7	COC1C(C(C(OC1O)COP(=O)(O)O)O)O
CACTVS 3.385	CO[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O

Name:

[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

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).