| SpectraBase Spectrum ID |
3TfG1Wrj3k3 |
| Name |
Orotate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
65-86-1
6784-70-9 |
| ChEBI ID |
16742 |
| Comments |
Saturated 1 Orotate - Aldrich 0-840-2; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C5 H4 N2 O4 |
| IUPAC Name |
2,6-dioxo-3H-pyrimidine-4-carboxylic acid |
| 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 |
| KEGG Compound ID |
C00295 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism |
| PubChem Compound ID |
967 |
| SMILES |
C1=C(NC(=O)NC1=O)C(=O)O |
| Source File Reference |
bmse000283 |
