| SpectraBase Spectrum ID |
9POmhrrb2O0 |
| Name |
Oxalate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
144-62-7
216451-38-6
63504-28-9
97993-78-7 |
| ChEBI ID |
30623 |
| Comments |
100 mM oxalate - 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 |
C2H2O4 |
| IUPAC Name |
ethanedioic acid; oxalic acid |
| InChI |
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) |
| InChIKey |
MUBZPKHOEPUJKR-UHFFFAOYSA-N |
| KEGG Compound ID |
C00209 |
| KEGG Pathways |
PATH: map00630 Glyoxylate and dicarboxylate metabolism |
| PubChem Compound ID |
971 |
| SMILES |
C(=O)(C(=O)O)O |
| Source File Reference |
bmse000106 |
