| SpectraBase Spectrum ID |
IXwrw6AHLxh |
| Name |
Adipic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
25666-61-9; 22322-28-7; 7486-38-6 |
| ChEBI ID |
30832 |
| Comments |
100 mM Adipic acid - Fluka 09582; 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 |
C6 H10 O4 |
| IUPAC Name |
hexanedioic acid; adipic acid |
| InChI |
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| InChIKey |
WNLRTRBMVRJNCN-UHFFFAOYSA-N |
| KEGG Compound ID |
C06104 |
| KEGG Pathways |
PATH: ko00930 Caprolactam degradation |
| PubChem Compound ID |
196 |
| SMILES |
C(CCC(=O)O)CC(=O)O |
| Source File Reference |
bmse000424 |
