BioLiP

PDB

BioLiP

PDB CCD ID:

9QV

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O12 P2

InChI:

InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-7(23-25(18,19)20)6(13)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1

InChIKey:

HQYLGYLPRPXVMN-XVFCMESISA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O(P(O)(=O)O)CC1C(C(C(O1)N2C=CC(=O)NC2=O)OP(O)(O)=O)O
OpenEye OEToolkits 2.0.6	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OP(=O)(O)O
CACTVS 3.385	O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.385	O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O

Name:

uridine 2',5'-bis(dihydrogen phosphate)

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).