Dataset
![molecular Image]()
Thioguanine
Chemical Info
| InChI | InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)N |
| InChI Key | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5S |
| Exact Mass | 167.027 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-WA002776 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:46.883509 |
| MetadataModified | 2025-02-09T20:12:00.626214 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-5787306636 | Mcule |
| ZINC000006382803 | ZINC |
| thioguanine | DailyMed |
| 9555 | Rhea |
| HMDB0014496 | Human Metabolome Database |
| 14340 | Brenda |
| 51290 | Brenda |
| 29358 | Brenda |
| 45935 | Brenda |
| 2723601 | PubChem |
| 49749672 | PubChem: Thomson Pharma |
| PD001469 | ProbesDrugs |
| tioguanine | Atlas |
| WIX31ZPX66 | FDA SRS |
| LSM-6723 | LINCS |
| 154-42-7 | ACToR |
| Thioguanine | Selleck |
| PA451663 | PharmGKB |
| 9555 | ChEBI |
| SCHEMBL3701 | SureChEMBL |
| 15171129 | PubChem: Thomson Pharma |
| 16902289 | PubChem: Thomson Pharma |
| 14772534 | PubChem: Thomson Pharma |
| 70071589 | NMRShiftDB |
| 532358 | eMolecules |
| 10169597 | eMolecules |
| 5753682 | eMolecules |
| 1056735 | eMolecules |
| 1989215 | eMolecules |
| DB00352 | DrugBank |
| CHEMBL727 | ChEMBL |
| DX4 | PDBe |
| C07648 | KEGG Ligand |
| 229093 | Brenda |
| 2632 | DrugCentral |
| THIOGUANINE | rxnorm |
| THIOGUANINE ANHYDROUS | rxnorm |
| TABLOID | rxnorm |
| TIOGUANINE | clinicaltrials |
| THIOGUANINE | clinicaltrials |
| TABLOID | clinicaltrials |
| NSC-752 | clinicaltrials |
| LANVIS | clinicaltrials |
| HY-13765 | MedChemExpress |
| 50200099 | BindingDB |
| 1253 | Brenda |
| 229094 | Brenda |
| THIOGUANINE | DailyMed |
| THGUAN | CCDC |
| J21.274A | Nikkaji |
| 6845 | Guide to Pharmacology |
| DTXSID6023652 | EPA CompTox Dashboard |
| 29360 | Brenda |
| CB6361837 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |