BioLiP

PDB

BioLiP

PDB CCD ID:

OHU

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O9 P

InChI:

InChI=1S/C9H13N2O9P/c12-4-1-7(20-6(4)3-19-21(16,17)18)11-2-5(13)8(14)10-9(11)15/h2,4,6-7,12-13H,1,3H2,(H,10,14,15)(H2,16,17,18)/t4-,6+,7+/m0/s1

InChIKey:

ZQYXKIGZDRIQRE-UBKIQSJTSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(O)C(=O)NC2=O
OpenEye OEToolkits 1.7.6	C1C(C(OC1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O
ACDLabs 12.01	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O
CACTVS 3.370	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(O)C(=O)NC2=O

Name:

2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)

ZINC:

ZINC000013514788

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).