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CHEBI:16742 - orotic acid
| Formula | C5H4N2O4 |
| Net Charge | 0 |
| Average Mass | 156.097 |
| Monoisotopic Mass | 156.01711 |
| SMILES | O=C(O)c1cc(=O)nc(=O)n1 |
| InChI | InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| InChIKey | PXQPEWDEAKTCGB-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| orotic acid (CHEBI:16742) has functional parent uracil (CHEBI:17568) |
| orotic acid (CHEBI:16742) has role Escherichia coli metabolite (CHEBI:76971) |
| orotic acid (CHEBI:16742) has role metabolite (CHEBI:25212) |
| orotic acid (CHEBI:16742) has role mouse metabolite (CHEBI:75771) |
| orotic acid (CHEBI:16742) is a pyrimidinemonocarboxylic acid (CHEBI:26447) |
| orotic acid (CHEBI:16742) is conjugate acid of orotate (CHEBI:30839) |
| Incoming Relation(s) |
| N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine (CHEBI:156205) has functional parent orotic acid (CHEBI:16742) |
| dihydroorotic acid (CHEBI:30865) has functional parent orotic acid (CHEBI:16742) |
| methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alaninate (CHEBI:156206) has functional parent orotic acid (CHEBI:16742) |
| orotate (CHEBI:30839) is conjugate base of orotic acid (CHEBI:16742) |
| IUPAC Name |
|---|
| 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms | Source |
|---|---|
| Orotic acid | KEGG COMPOUND |
| Uracil-6-carboxylic acid | KEGG COMPOUND |
| OROTIC ACID | PDBeChem |
| Orotsäure | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00295 | KEGG COMPOUND |
| ORO | PDBeChem |
| DB02262 | DrugBank |
| HMDB0000226 | HMDB |
| OROTATE | MetaCyc |
| Orotic_acid | Wikipedia |
| D00055 | KEGG DRUG |
| C00019689 | KNApSAcK |
| 3402 | DrugCentral |
| Citations |
|---|