BioLiP

PDB

BioLiP

PDB CCD ID:

7QO

Number of entries in BioLiP:

Chemical formula:

C10 H13 N3 O7

InChI:

InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1

InChIKey:

CHKIQPXDGYGCHW-YOWKYNACSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC(=O)N(C=C1)[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O
CACTVS 3.385	NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(=O)O)O)O)O
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Name:

(2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

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).