Dataset
![molecular Image]()
2,6-Dioxo-1,2,3,6-tetrahydropurine, 2,6-Dihydroxypurine, XAN, 3,7-dihydropurine-2,6-dione, Xanthic oxide, 2,6-Dioxopurine, Xanthine
Chemical Info
| InChI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
| Exact Mass | 152.113 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-RIKEN_ReSpect-PT203730 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:39:24.986028 |
| MetadataModified | 2025-02-09T19:06:35.148882 |
| MetadataPublished | 2008-07-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C00385 | KEGG Ligand |
| DB02134 | DrugBank |
| CHEMBL1424 | ChEMBL |
| 48517 | ChEBI |
| 17712 | ChEBI |
| XAN | PDBe |
| 50227193 | BindingDB |
| ZINC000013517187 | ZINC |
| J2.371J | Nikkaji |
| 4557 | Guide to Pharmacology |
| XANTHINE | rxnorm |
| HY-W017389 | MedChemExpress |
| DTXSID4035120 | EPA CompTox Dashboard |
| 82009 | BindingDB |
| 1188 | PubChem |
| 16275634 | PubChem: Thomson Pharma |
| 15120174 | PubChem: Thomson Pharma |
| 16142320 | PubChem: Thomson Pharma |
| 15946662 | PubChem: Thomson Pharma |
| 16819-86-6 | ACToR |
| xan | Recon |
| SCHEMBL4965 | SureChEMBL |
| 1AVZ07U9S7 | FDA SRS |
| PD008524 | ProbesDrugs |
| 36366186 | eMolecules |
| 711812 | eMolecules |
| 533318 | eMolecules |
| 670435 | eMolecules |
| CB0197999 | ChemicalBook |
| 17712 | Rhea |
| MTBLC17712 | Metabolights |
| 234 | Brenda |
| HMDB0000292 | Human Metabolome Database |
| MTBLC48517 | Metabolights |
| 20191749 | NMRShiftDB |
| MCULE-6687728468 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |