BioLiP

PDB

BioLiP

PDB CCD ID:

BMP

Number of entries in BioLiP:

220

Chemical formula:

C9 H13 N2 O10 P

InChI:

InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1

InChIKey:

UDOBICLZEKUKCV-YXZULKJRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.5.0	C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)O
CACTVS 3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O
CACTVS 3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O
ACDLabs 10.04	O=C1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)O

Name:

6-HYDROXYURIDINE-5'-PHOSPHATE

ChEMBL:

CHEMBL383923

DrugBank:

DB02890

ZINC:

ZINC000024479522

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).