BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHT

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O6

InChI:

InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9+,10-/m1/s1

InChIKey:

NIDVTARKFBZMOT-SFKDOBOXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
OpenEye OEToolkits 2.0.7	CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.385	CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
CACTVS 3.385	CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O

Name:

N4-Acetylcytidine

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).