BioLiP

PDB

BioLiP

PDB CCD ID:

URD

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O6

InChI:

InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1

InChIKey:

WIRVQQCUKDPURA-PEBGCTIMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
OpenEye OEToolkits 1.5.0	C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04	O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)CC2=O
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)CC2=O

Name:

1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE;
3-DEAZAURIDINE

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).