| SpectraBase Spectrum ID |
CK7DJyE8ECh |
| Name |
Maleic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
110-16-7 |
| ChEBI ID |
18300 |
| Comments |
100 mM Maleic Acid - vendor: Sigma 39H5449; 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-UPHRSURJSA-N |
| KEGG Compound ID |
C01384 |
| KEGG Pathways |
PATH: map00650 Butanoate metabolism
PATH: map00760 Nicotinate and nicotinamide metabolism |
| PubChem Compound ID |
444266 |
| SMILES |
C(=CC(=O)O)C(=O)O |
| Source File Reference |
bmse000212 |
