BioLiP

PDB

BioLiP

PDB CCD ID:

C42

Number of entries in BioLiP:

Chemical formula:

C9 H15 N4 O6 P

InChI:

InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey:

DLMWQJIDSZFHEV-SHYZEUOFSA-N

SMILES:

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

Name:

3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058638384

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).