BioLiP

PDB

BioLiP

PDB CCD ID:

C45

Number of entries in BioLiP:

Chemical formula:

C10 H16 N3 O8 P

InChI:

InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1

InChIKey:

GCOHQLVAXYZLMM-LKEWCRSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CONC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O
CACTVS 3.341	CONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
CACTVS 3.341	CONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0	CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
ACDLabs 10.04	O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O

Name:

N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE

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).