| SpectraBase Spectrum ID |
G2VWaRAO6pE |
| Name |
Propionic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
557-28-8
79-09-4 |
| ChEBI ID |
30768 |
| Comments |
100 mM Propionic acid, sodium salt - vendor: Acros 149010250; 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 |
C3H6O2 |
| IUPAC Name |
propanoic acid; propionic acid |
| InChI |
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey |
XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| KEGG Compound ID |
C00163 |
| KEGG Pathways |
PATH: map00640 Propanoate metabolism
PATH: map00642 Ethylbenzene degradation |
| PubChem Compound ID |
1032 |
| SMILES |
CCC(=O)O |
| Source File Reference |
bmse000179 |
