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CHEBI:179632 - 2,8-dioxoadenine
| Formula | C5H5N5O2 |
| Net Charge | 0 |
| Average Mass | 167.128 |
| Monoisotopic Mass | 167.04432 |
| SMILES | Nc1nc(=O)nc2nc(=O)nc12 |
| InChI | InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12) |
| InChIKey | XFBOJHLYDJZYSP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Canis lupus familiaris (ncbitaxon:9615) | blood plasma (BTO:0000118) | PubMed (4643620) | |
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (1091029) | |
| Macaca fascicularis (ncbitaxon:9541) | - | PubMed (4989592) | Species also known as Macaca irus. |
| Roles Classification |
|---|
| Biological Roles: | mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. nephrotoxic agent A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,8-dioxoadenine (CHEBI:179632) has functional parent adenine (CHEBI:16708) |
| 2,8-dioxoadenine (CHEBI:179632) has role human urinary metabolite (CHEBI:84087) |
| 2,8-dioxoadenine (CHEBI:179632) has role mammalian metabolite (CHEBI:75768) |
| 2,8-dioxoadenine (CHEBI:179632) has role nephrotoxic agent (CHEBI:50909) |
| 2,8-dioxoadenine (CHEBI:179632) is a 6-aminopurines (CHEBI:20706) |
| 2,8-dioxoadenine (CHEBI:179632) is a oxopurine (CHEBI:25810) |
| 2,8-dioxoadenine (CHEBI:179632) is tautomer of 2,8-dihydroxyadenine (CHEBI:183641) |
| Incoming Relation(s) |
| 2,8-dihydroxyadenine (CHEBI:183641) is tautomer of 2,8-dioxoadenine (CHEBI:179632) |
| IUPAC Name |
|---|
| 6-amino-1H-purine-2,8(7H,9H)-dione |
| Synonym | Source |
|---|---|
| 2,8-dioxyadenine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 83302 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:30377-37-8 | ChemIDplus |
| Citations |
|---|