| SpectraBase Spectrum ID |
4SQoUOBVvmC |
| Name |
Acetylenedicarboxylic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
928-04-1 |
| ChEBI ID |
30781 |
| Comments |
100 mM Acetylenedicarboxylic acid - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azid; Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4H2O4 |
| IUPAC Name |
but-2-ynedioic acid |
| InChI |
InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8) |
| InChIKey |
YTIVTFGABIZHHX-UHFFFAOYSA-N |
| KEGG Compound ID |
C03248 |
| KEGG Pathways |
PATH: ko00620 Pyruvate metabolism |
| PubChem Compound ID |
371 |
| SMILES |
C(#CC(=O)O)C(=O)O |
| Source File Reference |
bmse000416 |
