MTQ
Summary
| Name: | (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI) |
| Formula: | C10 H8 Mo N5 O8 P S2 |
| Formal charge: | 0 |
| Formula weight: | 517.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | dioxo(phosphate)molybdenum |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[C@H]3NC2=N1 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h9,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16);;;/q;+2;;/p-2/t9-;;;/m1.../s1 |
| InChIKey | InChI | 1.03 | IXNYCVJPVGNGQC-NRYJBHHQSA-L |
