BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C9 H16 N3 O8 P

InChI:

InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey:

NWPXZYGTNOANAA-XVFCMESISA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1
CACTVS 3.385	NC1=CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
OpenEye OEToolkits 2.0.6	C1C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N
OpenEye OEToolkits 2.0.6	C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
ACDLabs 12.01	P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O

Name:

5'-3,6-dihydrocytidylic acid

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).