BioLiP

PDB

BioLiP

PDB CCD ID:

UMP

Number of entries in BioLiP:

973

Chemical formula:

C9 H13 N2 O8 P

InChI:

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

InChIKey:

JSRLJPSBLDHEIO-SHYZEUOFSA-N

SMILES:

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

Name:

2'-DEOXYURIDINE 5'-MONOPHOSPHATE;
DUMP

ChEMBL:

CHEMBL211312

DrugBank:

DB03800

ZINC:

ZINC000004228260

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).