| SpectraBase Spectrum ID |
6hpdBWTj69L |
| Name |
Fumaric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
110-17-8 |
| ChEBI ID |
29806 |
| Comments |
100 mM sodium fumarate dibasic - vendor: Sigma f1506; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4H4O4 |
| IUPAC Name |
but-2-enedioic acid |
| InChI |
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ |
| InChIKey |
VZCYOOQTPOCHFL-OWOJBTEDSA-N |
| KEGG Compound ID |
C00122 |
| KEGG Pathways |
PATH: map00020 Citrate cycle (TCA cycle)
PATH: map00190 Oxidative phosphorylation
PATH: map00220 Urea cycle and metabolism of amino groups
PATH: map00251 Glutamate metabolism
PATH: map00252 Alanine and aspartate metabolism
PATH: map00330 Arginine and proline metabolism
PATH: map00350 Tyrosine metabolism
PATH: map00360 Phenylalanine metabolism
PATH: map00632 Benzoate degradation via CoA ligation
PATH: map00643 Styrene degradation
PATH: map00650 Butanoate metabolism
PATH: map00720 Reductive carboxylate cycle (CO2 fixation)
PATH: map00760 Nicotinate and nicotinamide metabolism
PATH: map05211 Renal cell carcinoma |
| PubChem Compound ID |
444972 |
| SMILES |
C(=CC(=O)O)C(=O)O |
| Source File Reference |
bmse000083 |
