BioLiP

PDB

BioLiP

PDB CCD ID:

BJE

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O5

InChI:

InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1

InChIKey:

UUGITDASWNOAGG-XVFCMESISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
OpenEye OEToolkits 2.0.6	C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
CACTVS 3.385	OC[C@H]1O[C@@H]2[C@H](OC3=NC(=O)C=CN23)[C@@H]1O
CACTVS 3.385	OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O

Name:

2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil;
Anhydrouridine;
2,2'-ANHYDROURIDINE;
CYCLOURIDINE

ZINC:

ZINC000003956782

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).