BioLiP

PDB

BioLiP

PDB CCD ID:

6SY

Number of entries in BioLiP:

Chemical formula:

C9 H11 N2 O8 P

InChI:

InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1

InChIKey:

NXIHNBWNDCFCGL-XVFCMESISA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O
OpenEye OEToolkits 2.0.5	C1C2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O
OpenEye OEToolkits 2.0.5	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O
CACTVS 3.385	O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1N3C=CC(=O)NC3=O

Name:

Uridine-3',5'-cyclic monophosphate;
cUMP

ZINC:

ZINC000013551795

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).