| SpectraBase Spectrum ID |
5bBOzn362YJ |
| Name |
Methylmalonic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
516-05-2 |
| ChEBI ID |
30860 |
| Comments |
100 mM Methylmalonic acid - Aldrich 03021MD
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4 H6 O4 |
| IUPAC Name |
2-methylpropanedioic acid; 2-methylmalonic acid |
| InChI |
InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) |
| InChIKey |
ZIYVHBGGAOATLY-UHFFFAOYSA-N |
| KEGG Compound ID |
C02170 |
| KEGG Pathways |
PATH: ko00240 Pyrimidine metabolism
PATH: ko00280 Valine, leucine and isoleucine degradation
PATH: ko00640 Propanoate metabolism |
| PubChem Compound ID |
487 |
| SMILES |
CC(C(=O)O)C(=O)O |
| Source File Reference |
bmse000398 |
