Dataset
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Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-dioxo-3H-pyrimidine-4-carboxylic acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous
Chemical Info
| 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) |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)C(=O)O |
| InChI Key | PXQPEWDEAKTCGB-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
| Exact Mass | 156.097 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-PT103170 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:26:02.264209 |
| MetadataModified | 2025-02-09T19:07:20.288421 |
| MetadataPublished | 2008-07-25 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1235017 | ChEMBL |
| DB02262 | DrugBank |
| C00295 | KEGG Ligand |
| ORO | PDBe |
| 16742 | ChEBI |
| 4690 | Guide to Pharmacology |
| J2.359K | Nikkaji |
| OROTAC | CCDC |
| CB34796962 | ChemicalBook |
| OROTIC ACID | DailyMed |
| OROTIC ACID | rxnorm |
| HY-N0157 | MedChemExpress |
| OROTIC ACID | clinicaltrials |
| DTXSID0025814 | EPA CompTox Dashboard |
| 3402 | DrugCentral |
| ZINC000001408068 | ZINC |
| PD001471 | ProbesDrugs |
| 61H4T033E5 | FDA SRS |
| orotic acid | Atlas |
| SCHEMBL20865 | SureChEMBL |
| 68460-00-4 | ACToR |
| Orotic-acid(6-Carboxyuracil) | Selleck |
| 15120234 | PubChem: Thomson Pharma |
| 16877294 | PubChem: Thomson Pharma |
| 967 | PubChem |
| 816071 | eMolecules |
| 530220 | eMolecules |
| MTBLC16742 | Metabolights |
| 68893 | Brenda |
| 163082 | Brenda |
| 446 | Brenda |
| 12642 | Brenda |
| HMDB0000226 | Human Metabolome Database |
| CB5691265 | ChemicalBook |
| orotic acid | DailyMed |
| MCULE-1013719295 | Mcule |
| 20027358 | NMRShiftDB |
| The data in this table is sourced from UniChem at EBI. | |