BioLiP

PDB

BioLiP

PDB CCD ID:

UM3

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O8 P

InChI:

InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey:

LXKGKXYIAAKOCT-SHYZEUOFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O
CACTVS 3.341	OC[CH]1O[CH](C[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.341	OC[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04	O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO

Name:

2'-DEOXYURIDINE 3'-MONOPHOSPHATE

DrugBank:

DB03448

ZINC:

ZINC000006524812

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).