BioLiP

PDB

BioLiP

PDB CCD ID:

QPJ

Number of entries in BioLiP:

Chemical formula:

C5 H14 O10 P2

InChI:

InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1

InChIKey:

BUWHXMOYXFBKFR-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CO)C(C(COP(=O)(O)O)O)OP(=O)(O)O
ACDLabs 12.01	P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O
OpenEye OEToolkits 2.0.7	C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O
CACTVS 3.385	OCC[CH](O[P](O)(O)=O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385	OCC[C@H](O[P](O)(O)=O)[C@H](O)CO[P](O)(O)=O

Name:

2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol

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).