BioLiP

PDB

BioLiP

PDB CCD ID:

ZCY

Number of entries in BioLiP:

Chemical formula:

C7 H12 N3 O6 P

InChI:

InChI=1S/C7H12N3O6P/c8-6-1-2-10(7(12)9-6)3-5(11)4-16-17(13,14)15/h1-2,5,11H,3-4H2,(H2,8,9,12)(H2,13,14,15)/t5-/m0/s1

InChIKey:

IQHBYFSDRWZBDG-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N
CACTVS 3.341	NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=C1
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)CC(COP(=O)(O)O)O
CACTVS 3.341	NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C1

Name:

(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE

ZINC:

ZINC000058649738

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).