BioLiP

PDB

BioLiP

PDB CCD ID:

C43

Number of entries in BioLiP:

Chemical formula:

C12 H20 N3 O9 P

InChI:

InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1

InChIKey:

XQYCHAUACFLMBW-QCNRFFRDSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N
OpenEye OEToolkits 1.7.6	COCCOC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
CACTVS 3.370	COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N
OpenEye OEToolkits 1.7.6	COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 12.01	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(OCCOC)C2O

Name:

2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058631890

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).