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BioLiP

PDB CCD ID: 5UA
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N5 O5
InChI: InChI=1S/C11H13N5O5/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(21-7)2-20-11(18)19/h3-7,17H,1-2H2,(H,18,19)(H2,12,13,14)/t5-,6+,7+/m0/s1
InChIKey: YSFXGKUPZLTGKR-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](COC(O)=O)O3
CACTVS 3.352Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](COC(O)=O)O3
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)C3CC(C(O3)COC(=O)O)O)N
ACDLabs 10.04O=C(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
OpenEye OEToolkits 1.6.1c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N
Name:5'-O-CARBOXY-2'-DEOXYADENOSINE
ZINC: ZINC000058627061
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).
  • 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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