BioLiP

PDB

BioLiP

PDB CCD ID:

U2L

Number of entries in BioLiP:

Chemical formula:

C13 H21 N2 O10 P

InChI:

InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-9(16)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1

InChIKey:

KIDCHLZJMPQNHC-DNRKLUKYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OCCOC)O
CACTVS 3.341	COCCO[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C)C(=O)NC2=O
CACTVS 3.341	COCCO[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C)C(=O)NC2=O
OpenEye OEToolkits 1.5.0	CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O
ACDLabs 10.04	O=C1NC(=O)N(C=C1C)C2OC(C(OCCOC)C2O)COP(=O)(O)O

Name:

5-METHYL-3'-O-METHOXYETHYL URIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058650837

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).