BioLiP

PDB

BioLiP

PDB CCD ID:

UZL

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O5

InChI:

InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1

InChIKey:

RFCQJGFZUQFYRF-ZOQUXTDFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(=NC2=O)N
CACTVS 3.385	CO[CH]1[CH](O)[CH](CO)O[CH]1N2C=CC(=NC2=O)N
OpenEye OEToolkits 2.0.7	COC1C(C(OC1N2C=CC(=NC2=O)N)CO)O
OpenEye OEToolkits 2.0.7	CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

Name:

O2'-methylycytidine;
4-azanyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one

ChEMBL:

CHEMBL176605

ZINC:

ZINC000005998209

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).