BioLiP

PDB

BioLiP

PDB CCD ID:

5NC

Number of entries in BioLiP:

Chemical formula:

C8 H13 N4 O7 P

InChI:

InChI=1S/C8H13N4O7P/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(19-6)2-18-20(15,16)17/h3-6,13H,1-2H2,(H2,9,11,14)(H2,15,16,17)/t4-,5+,6+/m0/s1

InChIKey:

JQHZISUSXMJEPR-KVQBGUIXSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(N=CN1C2OC(C(O)C2)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=NC(=NC2=O)N)COP(=O)(O)O)O
CACTVS 3.341	NC1=NC(=O)N(C=N1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
CACTVS 3.341	NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2

Name:

5-AZA-CYTIDINE-5'MONOPHOSPHATE

ZINC:

ZINC000031413948

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).