adenosine-5'-vanadate (Q27466991)

(Adenosinato-kappaO~5'~)(hydroxy)oxovanadium (English)

19 October 2016

chemical formula

C₁₀H₁₃N₅O₆V

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO[V](=O)O)O)O)N

1 reference

(Adenosinato-kappaO~5'~)(hydroxy)oxovanadium (English)

InChI=1S/C10H12N5O4.H2O.O.V/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;;;+2/p-1/t4-,6-,7-,10-;;;/m1.../s1

19 October 2016

isomeric SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[O-])[C@@H](O)[C@H]1O.[OH-].[O].[V+2]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

(Adenosinato-kappaO~5'~)(hydroxy)oxovanadium (English)

JVJRKVXEYLCGDR-MSQVLRTGSA-M

19 October 2016

InChIKey

1 reference

(Adenosinato-kappaO~5'~)(hydroxy)oxovanadium (English)

19 October 2016

1 reference

(Adenosinato-kappaO~5'~)(hydroxy)oxovanadium (English)

19 October 2016

1 reference

4NDG (English)