6-Thioinosine-phosphate
8297
Reference
6-Thioinosine-phosphate Structure
Systematic / IUPAC Name: 9-(5-O-Phosphono-β-D-ribofuranosyl)-9H-purine-6-thiol
ID: Reference8297
Other Names:
Thio-IMP;
6-Thioinosine-5'-monophosphate;
6-Thioinosinic acid;
Thioinosinic acid;
6-Mercaptopurine ribonucleotide
; more
Formula: C10H13N4O7PS
Spectral Data
6-Thioinosine-phosphate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 196 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/5/2018 7:28:59 AM |
Identificators
| InChI | InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1 |
| InChI Key | ZKRFOXLVOKTUTA-KQYNXXCUSA-N |
| Canonical SMILES | C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O |
| CAS | |
| Splash | |
| Other Names |
Thio-IMP; 6-Thioinosine-5'-monophosphate; 6-Thioinosinic acid; Thioinosinic acid; 6-Mercaptopurine ribonucleotide; 6-Mercaptopurine riboside 5'-monophosphate; 6-Mercaptopurine riboside 5'-phosphate; 6-Mercaptopurine riboside-5-phosphate; 6-Mercaptopurine ribotide; 9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine; 9-(5-Phosphoribofuranosyl)-6-mercaptopurine |
In Other Databases
| ChEBI | CHEBI:2332 |
| HMDb | HMDB60416 |
| ChemIDPlus | 000053838 |
| KEGG | C04646 |
| ChEMBL | CHEMBL1237125 |
| ChemSpider | 2298861 |
| Wikipedia | Thioinosinic_acid |
| PubChem | 3034391 |