BioLiP

PDB

BioLiP

PDB CCD ID:

IYP

Number of entries in BioLiP:

Chemical formula:

C6 H11 N2 O6 P

InChI:

InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1

InChIKey:

HFYBTHCYPKEDQQ-RITPCOANSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c([nH]cn1)C(C(COP(=O)(O)O)O)O
CACTVS 3.370	O[C@H](CO[P](O)(O)=O)[C@@H](O)c1[nH]cnc1
OpenEye OEToolkits 1.7.6	c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.370	O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1
ACDLabs 12.01	O=P(O)(O)OCC(O)C(O)c1cncn1

Name:

(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl 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).