BioLiP

PDB

BioLiP

PDB CCD ID:

UFR

Number of entries in BioLiP:

Chemical formula:

C10 H13 N2 O9 P

InChI:

InChI=1S/C10H13N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2-3,6-8,14H,1,4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1

InChIKey:

LVYWYEBCBRVIEG-XLPZGREQSA-N

SMILES:

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

Name:

2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)

ChEMBL:

CHEMBL1236552

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).