| SpectraBase Spectrum ID |
4tHcomLe74O |
| Name |
Malic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
41308-42-3
617-48-1
676-46-0
6915-15-7 |
| ChEBI ID |
6650 |
| Comments |
100 mM malic_acid - vendor: ?; 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 |
C4H6O5 |
| IUPAC Name |
2-hydroxysuccinic acid; 2-hydroxybutanedioic acid |
| InChI |
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) |
| InChIKey |
BJEPYKJPYRNKOW-UHFFFAOYSA-N |
| KEGG Compound ID |
C00711 |
| PubChem Compound ID |
525 |
| SMILES |
C(C(C(=O)O)O)C(=O)O |
| Source File Reference |
bmse000046 |
