ORO
OROTIC ACID
| Created: | 1999-07-08 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 15 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | OROTIC ACID |
| Systematic Name (OpenEye OEToolkits) | 2,6-dioxo-3H-pyrimidine-4-carboxylic acid |
| Formula | C5 H4 N2 O4 |
| Molecular Weight | 156.096 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1=CC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.341 | OC(=O)C1=CC(=O)NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)NC1=O)C(=O)O |
| Canonical SMILES | CACTVS | 3.341 | OC(=O)C1=CC(=O)NC(=O)N1 |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)NC1=O)C(=O)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | PXQPEWDEAKTCGB-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02262 |
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| Name | Orotic acid |
| Groups | investigational |
| Synonyms |
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| Categories |
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| CAS number | 65-86-1 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Orotate phosphoribosyltransferase | MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLG... | unknown | |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD... | unknown | |
| Dihydroorotate dehydrogenase (quinone) | MYYPFVRKALFQLDPERAHEFTFQQLRRITGTPFEALVRQKVPAKPVNCM... | unknown | |
| Dihydroorotase | MTAPSQVLKIRRPDDWHLHLRDGDMLKTVVPYTSEIYGRAIVMPNLAPPV... | unknown | inhibitor |
| Dihydroorotate dehydrogenase A (fumarate) | MLNTTFANAKFANPFMNASGVHCMTIEDLEELKASQAGAYITKSSTLEKR... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5280334, 967 |
| ChEMBL | CHEMBL1235017 |
| ChEBI | CHEBI:16742 |
| CCDC/CSD | XARBEZ, LIDCAE02, LIDCAE, LIDCAE01, OROTAC01, OROTAC02, OROTAC, XARBID, XARBOJ, VEYLOD |
| COD | 2018388, 2217954 |
