BioLiP

PDB

BioLiP

PDB CCD ID:

8DA

Number of entries in BioLiP:

Chemical formula:

C10 H15 N5 O4

InChI:

InChI=1S/C10H15N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h4-6,12,16-17H,1-3,11H2,(H,14,18)/t4-,5+,6+/m1/s1

InChIKey:

KTCVXRUKSBTHOG-SRQIZXRXSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=C2NC(=O)N([C@@H]3C[C@@H](O)[C@H](CO)O3)C2=NCN1
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C3=NCNC(=C3NC2=O)N)CO)O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O
CACTVS 3.341	NC1=C2NC(=O)N([CH]3C[CH](O)[CH](CO)O3)C2=NCN1
ACDLabs 10.04	O=C2NC1=C(N)NCN=C1N2C3OC(C(O)C3)CO

Name:

8-OXODEOXYADENOSINE

ZINC:

ZINC000103530118

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).