BioLiP

PDB

BioLiP

PDB CCD ID:

3MU

Number of entries in BioLiP:

Chemical formula:

C10 H15 N2 O9 P

InChI:

InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1

InChIKey:

KZSHODFDDQCIMT-ZOQUXTDFSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
ACDLabs 12.01	O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
OpenEye OEToolkits 1.7.6	CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.370	CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
OpenEye OEToolkits 1.7.6	CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O

Name:

3-methyluridine 5'-(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).