| SpectraBase Spectrum ID |
8dkPZ8LgbMI |
| Name |
Oxalosuccinate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1948-82-9 |
| Comments |
Saturated 1 Oxalosuccinate - Sigma O-6875; 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 |
C6 H6 O7 |
| IUPAC Name |
1-oxopropane-1,2,3-tricarboxylic acid |
| InChI |
InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13) |
| InChIKey |
UFSCUAXLTRFIDC-UHFFFAOYSA-N |
| KEGG Compound ID |
C05379 |
| KEGG Pathways |
PATH: map00020 Citrate cycle (TCA cycle) |
| PubChem Compound ID |
972 |
| SMILES |
C(C(C(=O)C(=O)O)C(=O)O)C(=O)O |
| Source File Reference |
bmse000251 |
