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BioLiP

PDB CCD ID: H1Q
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N5 O11 V2
InChI: InChI=1S/C10H12N5O4.H2O.6O.2V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);1H2;;;;;;;;/q-1;;;5*-1;2*+1/p-1/t4-,6-,7-,10?;;;;;;;;;/m1........./s1
InChIKey: SCTBHSLYHREHHB-OUJHSJFHSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@H]3O[C@H](CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])[C@@H](O)[C@H]3O
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N
Name:adenosine divanadate
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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