SEQ2FUN

BioLiP

PDB CCD ID: A38
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O7 P
InChI: InChI=1S/C10H14N5O7P/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChIKey: QFGWDFAYOAGQDH-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)N(C(=O)N2)C3CC(C(O3)COP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N
ACDLabs 10.04O=C2Nc1c(ncnc1N2C3OC(C(O)C3)COP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)Nc12
CACTVS 3.341Nc1ncnc2N([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C(=O)Nc12
Name:8-OXY DEOXYADENOSINE-5'-MONOPHOSPHATE
ZINC: ZINC000058631678
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).