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 |