BioLiP

PDB

BioLiP

PDB CCD ID:

ZAS

Number of entries in BioLiP:

Chemical formula:

C10 H12 N8 O3

InChI:

InChI=1S/C10H12N8O3/c11-8-5-9(14-2-13-8)18(3-15-5)10-7(20)6(19)4(21-10)1-16-17-12/h2-4,6-7,10,19-20H,1H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1

InChIKey:

SKWSYTVBPHWKHX-KQYNXXCUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=[N+]=[N-])O)O)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O
ACDLabs 12.01	Nc1ncnc2c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O

Name:

5'-azido-5'-deoxyadenosine

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).