BioLiP

PDB

BioLiP

PDB CCD ID:

DDN

Number of entries in BioLiP:

Chemical formula:

C9 H15 N2 O8 P

InChI:

InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1

InChIKey:

ILSIYJVILUIVPM-LXGUWJNJSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C[CH](O)NC2=O
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C[C@@H](O)NC2=O
ACDLabs 10.04	O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(NC2=O)O)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O

Name:

3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE;
((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE

DrugBank:

DB04280

ZINC:

ZINC000005850864

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).