BioLiP

PDB

BioLiP

PDB CCD ID:

TTI

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O8 P Te

InChI:

InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1

InChIKey:

JBISBBUKLAQYGW-HBPOCXIASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O
ACDLabs 10.04	[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2

Name:

2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate);
5-Tellurium-deoxyuridine-5'-phosphate

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).