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BioLiP

PDB CCD ID: 8DA
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.341NC1=C2NC(=O)N([C@@H]3C[C@@H](O)[C@H](CO)O3)C2=NCN1
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C3=NCNC(=C3NC2=O)N)CO)O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O
CACTVS 3.341NC1=C2NC(=O)N([CH]3C[CH](O)[CH](CO)O3)C2=NCN1
ACDLabs 10.04O=C2NC1=C(N)NCN=C1N2C3OC(C(O)C3)CO
Name:8-OXODEOXYADENOSINE
ZINC: ZINC000103530118
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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