BioLiP

PDB

BioLiP

PDB CCD ID:

8YN

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O7 P

InChI:

InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1

InChIKey:

LMPCXRMBUOVHQD-RRKCRQDMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(OC1C2=CN=C(NC2=O)N)COP(=O)(O)O)O
CACTVS 3.385	NC1=NC=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N1
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O
CACTVS 3.385	NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1

Name:

Pseudoisocytidine

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).