BioLiP

PDB

BioLiP

PDB CCD ID:

M4C

Number of entries in BioLiP:

Chemical formula:

C11 H18 N3 O8 P

InChI:

InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1

InChIKey:

GPJNLASIBKTFTM-PEBGCTIMSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(O)(O)OCC2OC(N1C(=O)N=C(NC)C=C1)C(OC)C2O
CACTVS 3.370	CNC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OC
CACTVS 3.370	CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC
OpenEye OEToolkits 1.7.6	CNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)OC
OpenEye OEToolkits 1.7.6	CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC

Name:

N-methyl-2'-O-methylcytidine 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).