| SpectraBase Spectrum ID |
5LluOpCjpUf |
| Name |
Pimelic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
111-16-0 |
| ChEBI ID |
30531 |
| Comments |
100 mM Pimelic 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 |
C7 H12 O4 |
| IUPAC Name |
heptanedioic acid; pimelic acid |
| InChI |
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChIKey |
WLJVNTCWHIRURA-UHFFFAOYSA-N |
| KEGG Compound ID |
C02656 |
| KEGG Pathways |
PATH: ko00780 Biotin metabolism |
| PubChem Compound ID |
385 |
| SMILES |
C(CCC(=O)O)CCC(=O)O |
| Source File Reference |
bmse000354 |
