| SpectraBase Spectrum ID |
33RkJOp66s7 |
| Name |
trans,trans-Muconic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3588-17-8; 505-70-4 |
| ChEBI ID |
38407 |
| Comments |
100 mM trans-trans-Muconic acid - 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 |
C6 H6 O4 |
| IUPAC Name |
(2E,4E)-hexa-2,4-dienedioic acid |
| InChI |
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+ |
| InChIKey |
TXXHDPDFNKHHGW-ZPUQHVIOSA-N |
| PubChem Compound ID |
5356793 |
| SMILES |
C(=CC(=O)O)C=CC(=O)O; C(=C/C(=O)O)\C=C\C(=O)O |
| Source File Reference |
bmse000463 |
