| SpectraBase Spectrum ID |
2LksirhfbBB |
| Name |
L-Dihydroorotic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
5988-19-2 |
| ChEBI ID |
17025 |
| Comments |
100 mM L-Dihydroorotic acid - Sigma-Aldrich D7128
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference 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 |
| Formula |
C5 H6 N2 O4 |
| IUPAC Name |
(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid; (4S)-2,6-diketohexahydropyrimidine-4-carboxylic acid; (4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid; (4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid |
| InChI |
InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 |
| InChIKey |
UFIVEPVSAGBUSI-REOHCLBHSA-N |
| KEGG Compound ID |
C00337 |
| KEGG Pathways |
PATH: ko00240 Pyrimidine metabolism |
| PubChem Compound ID |
439216 |
| SMILES |
C1C(NC(=O)NC1=O)C(=O)O; C1[C@H](NC(=O)NC1=O)C(=O)O |
| Source File Reference |
bmse000342 |
