BioLiP

PDB

BioLiP

PDB CCD ID:

OKQ

Number of entries in BioLiP:

Chemical formula:

C10 H16 N3 O7 P S

InChI:

InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1

InChIKey:

JKIZWHJBBPPNBB-ZOQUXTDFSA-N

SMILES:

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

Name:

2'-O-methylcytidine-5'-phosphorothioate

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).