Dataset
![molecular Image]()
6-Mercaptopurine
Chemical Info
| InChI | InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=CN2 |
| InChI Key | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4S |
| Exact Mass | 152.016 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002764 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:18.086264 |
| MetadataModified | 2024-01-11T22:50:18.244556 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HMDB0015167 | Human Metabolome Database |
| 1345 | Brenda |
| 112781 | Brenda |
| 105221 | Brenda |
| 105222 | Brenda |
| 30171 | Brenda |
| 46631 | Brenda |
| 157386 | Brenda |
| CB1425059 | ChemicalBook |
| 50667 | Rhea |
| CB42610065 | ChemicalBook |
| PM6 | PDBe |
| 50423778 | BindingDB |
| PKK6MUZ20G | FDA SRS |
| ZINC000004658290 | ZINC |
| 1708 | DrugCentral |
| 94796 | ChEBI |
| DTXSID0020810 | EPA CompTox Dashboard |
| 12401 | Brenda |
| HY-13677 | MedChemExpress |
| MERCAPTOPURINE | clinicaltrials |
| PURIXAN | clinicaltrials |
| PURINETHOL | clinicaltrials |
| NSC-755 | clinicaltrials |
| XALUPRINE | clinicaltrials |
| 6-MERCAPTOPURINE | clinicaltrials |
| 6-MERCAPTOPURINE MONOHYDRATE | clinicaltrials |
| MERCAPTOPURINE ANHYDROUS | rxnorm |
| MERCAPTOPURINE | rxnorm |
| PURIXAN | rxnorm |
| MERCAPTOPURINE | DailyMed |
| 7226 | Guide to Pharmacology |
| RAKSIG | CCDC |
| J2.298E | Nikkaji |
| MCULE-4811219863 | Mcule |
| PD001869 | ProbesDrugs |
| 15970891 | PubChem: Thomson Pharma |
| 14772317 | PubChem: Thomson Pharma |
| Mercaptopurine | Selleck |
| PA450379 | PharmGKB |
| 15321640 | PubChem: Thomson Pharma |
| SCHEMBL3893 | SureChEMBL |
| 50-44-2 | ACToR |
| LSM-5963 | LINCS |
| mercaptopurine | Atlas |
| 60062490 | NMRShiftDB |
| 667490 | PubChem |
| DB01033 | DrugBank |
| C01756 | KEGG Ligand |
| C02380 | KEGG Ligand |
| CHEMBL1425 | ChEMBL |
| 2208 | ChEBI |
| SAM002589937 | NIH Clinical Collection |
| 50667 | ChEBI |
| 1987653 | eMolecules |
| 32176559 | eMolecules |
| 525836 | eMolecules |
| 1061194 | eMolecules |
| 729201 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |