BioLiP

PDB

BioLiP

PDB CCD ID:

D3Z

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O5

InChI:

InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1

InChIKey:

WUBAOANSQGKRHF-UCVXFZOQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
ACDLabs 10.04	O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C
CACTVS 3.341	C[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
CACTVS 3.341	C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O

Name:

1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione

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).