BioLiP

PDB

BioLiP

PDB CCD ID:

ADU

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O6

InChI:

InChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1

InChIKey:

BUUSLPRPRSICHU-JLRHVRHOSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(OC(C1O)N2C=CC(=O)NC2=O)CO
CACTVS 3.341	CC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO
ACDLabs 10.04	O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO

Name:

3'-DEOXY-3'-ACETAMIDO-URIDINE;
((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL)

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).