| SpectraBase Spectrum ID |
67AzxulTifb |
| Name |
3-Methylcrotonaldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
107-86-8 |
| ChEBI ID |
15825 |
| Comments |
100 mM 3-methylcrotonaldehyde - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C5 H8 O |
| IUPAC Name |
3-methylbut-2-enal |
| InChI |
InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 |
| InChIKey |
SEPQTYODOKLVSB-UHFFFAOYSA-N |
| KEGG Compound ID |
C07330 |
| KEGG Pathways |
PATH: ko00908 Zeatin biosynthesis |
| PubChem Compound ID |
61020 |
| SMILES |
CC(=CC=O)C |
| Source File Reference |
bmse000474 |
