Q61
Summary
| Name: | guanosine-5'-monophosphate-2',3'-vanadate |
| Formula: | C10 H12 N5 O10 P V |
| Formal charge: | 0 |
| Formula weight: | 444.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5'-guanylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},5~{R},6~{R},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-$l^{1}-oxidanyl-3-oxidanylidene-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3(n2c1N=C(N)NC(c1nc2)=O)OC(C4C3O[V](=O)(O)O4)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N5O8P.H2O.O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;;/h2-3,5-6,9H,1H2,(H2,19,20,21)(H3,11,13,14,18);1H2;;/q-2;;;+3/p-1/t3-,5-,6-,9-;;;/m1.../s1 |
| InChIKey | InChI | 1.03 | HLNGULJSADVEQG-CYCLDIHTSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O.NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[V](=O)O[C@@H]34 |
| SMILES | CACTVS | 3.385 | O.NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[V](=O)O[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N |
