BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O8 P

InChI:

InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey:

ONSQLDCEJIIUJS-XVFCMESISA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=NC(=O)C=CN1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0	C1=CN(C(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341	NC1=NC(=O)C=CN1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 10.04	O=C1N=C(N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0	C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

Name:

ISOCYTIDINE-5'-MONOPHOSPHATE

ChEMBL:

CHEMBL1233534

ZINC:

ZINC000058638426

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).