BioLiP

PDB

BioLiP

PDB CCD ID:

O2C

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O7 P

InChI:

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

InChIKey:

SCVBZIYRQRHLNC-SHYZEUOFSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(CC2O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O
CACTVS 3.341	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)C[CH]2O
OpenEye OEToolkits 1.5.0	C1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)O
CACTVS 3.341	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)C[C@H]2O

Name:

3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000031544446

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).