BioLiP

PDB

BioLiP

PDB CCD ID:

CU0

Number of entries in BioLiP:

Chemical formula:

C5 H12 O10 P2

InChI:

InChI=1S/C5H12O10P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5-/m0/s1

InChIKey:

HNPYBPXXPMVWIY-LMVFSUKVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1CO[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@H]1O
OpenEye OEToolkits 2.0.7	C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.385	O[CH]1CO[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]1O

Name:

[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen 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).