BioLiP

PDB

BioLiP

PDB CCD ID:

DOC

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O6 P

InChI:

InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1

InChIKey:

RAJMXAZJKUGYGW-POYBYMJQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N
CACTVS 3.341	NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(O)=O)O2
CACTVS 3.341	NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0	C1CC(OC1COP(=O)(O)O)N2C=CC(=NC2=O)N
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(CC2)COP(=O)(O)O

Name:

2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE

ChEMBL:

CHEMBL1232305

DrugBank:

DB02883

ZINC:

ZINC000001611080

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).