| SpectraBase Spectrum ID |
9suBz0QkpjR |
| Name |
Suberic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
68937-72-4; 505-48-6 |
| ChEBI ID |
9300 |
| Comments |
100 mM suberic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide 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 |
C8 H14 O4 |
| IUPAC Name |
octanedioic acid; suberic acid |
| InChI |
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) |
| InChIKey |
TYFQFVWCELRYAO-UHFFFAOYSA-N |
| KEGG Compound ID |
C08278 |
| PubChem Compound ID |
10457 |
| SMILES |
C(CCCC(=O)O)CCC(=O)O |
| Source File Reference |
bmse000378 |
