| SpectraBase Spectrum ID |
DOLTuhs8MKD |
| Name |
L-Malic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
97-67-6 |
| ChEBI ID |
30797 |
| Comments |
100 mM l-malic acid - vendor: Mann 3465; 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 |
(2S)-2-hydroxysuccinic acid; (2S)-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)/t2-/m0/s1 |
| InChIKey |
BJEPYKJPYRNKOW-REOHCLBHSA-N |
| KEGG Compound ID |
C00149 |
| KEGG Pathways |
PATH: map00020 Citrate cycle (TCA cycle)
PATH: map00251 Glutamate metabolism
PATH: map00252 Alanine and aspartate metabolism
PATH: map00620 Pyruvate metabolism
PATH: map00630 Glyoxylate and dicarboxylate metabolism
PATH: map00710 Carbon fixation
PATH: map00720 Reductive carboxylate cycle (CO2 fixation)
PATH: map05211 Renal cell carcinoma |
| PubChem Compound ID |
222656 |
| SMILES |
C(C(C(=O)O)O)C(=O)O |
| Source File Reference |
bmse000238 |
