BioLiP

PDB

BioLiP

PDB CCD ID:

DNR

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O7 P

InChI:

InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p+1/t5-,6+,8+/m0/s1

InChIKey:

NCMVOABPESMRCP-SHYZEUOFSA-O

SMILES:

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

Name:

2'-DEOXY-N3-PROTONATED 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).