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CHEBI:16294 - barbituric acid
| Formula | C4H4N2O3 |
| Net Charge | 0 |
| Average Mass | 128.087 |
| Monoisotopic Mass | 128.02219 |
| SMILES | O=C1CC(=O)NC(=O)N1 |
| InChI | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| InChIKey | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| Application: | GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| barbituric acid (CHEBI:16294) has role allergen (CHEBI:50904) |
| barbituric acid (CHEBI:16294) has role xenobiotic (CHEBI:35703) |
| barbituric acid (CHEBI:16294) is a barbiturates (CHEBI:22693) |
| barbituric acid (CHEBI:16294) is conjugate acid of barbiturate (CHEBI:29745) |
| barbituric acid (CHEBI:16294) is conjugate acid of barbiturate(1−) (CHEBI:77938) |
| barbituric acid (CHEBI:16294) is conjugate acid of barbiturate(2−) (CHEBI:57718) |
| Incoming Relation(s) |
| 6-oxouridine 5'-phosphate (CHEBI:41150) has functional parent barbituric acid (CHEBI:16294) |
| alloxan (CHEBI:76451) has functional parent barbituric acid (CHEBI:16294) |
| butalbital (CHEBI:102524) has functional parent barbituric acid (CHEBI:16294) |
| dialuric acid (CHEBI:76452) has functional parent barbituric acid (CHEBI:16294) |
| hexobarbital (CHEBI:5706) has functional parent barbituric acid (CHEBI:16294) |
| secobarbital (CHEBI:9073) has functional parent barbituric acid (CHEBI:16294) |
| barbiturate (CHEBI:29745) is conjugate base of barbituric acid (CHEBI:16294) |
| barbiturate(1−) (CHEBI:77938) is conjugate base of barbituric acid (CHEBI:16294) |
| barbiturate(2−) (CHEBI:57718) is conjugate base of barbituric acid (CHEBI:16294) |
| IUPAC Name |
|---|
| pyrimidine-2,4,6(1H,3H,5H)-trione |
| Synonyms | Source |
|---|---|
| Barbituric acid | KEGG COMPOUND |
| Malonylurea | KEGG COMPOUND |
| 2,4,6(1H,3H,5H)-pyrimidinetrione | NIST Chemistry WebBook |
| Barbitursäure | ChEBI |
| Malonylharnstoff | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00813 | KEGG COMPOUND |
| HMDB0041833 | HMDB |
| Barbituric_acid | Wikipedia |
| Citations |
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