cis-aconitate
cis-aconitate (CAS No.: 585-84-2) is a tricarboxylic acid intermediate of the tricarboxylic acid cycle formed through the reversible dehydration of citric acid and subsequently rehydrated to isocitric acid by aconitase, representing a central metabolite in mitochondrial energy metabolism. As an endogenous metabolite, cis-aconitate plays a critical role in cellular bioenergetics and carbon flux, making it a valuable tool for investigating mitochondrial function, metabolic pathway regulation, and alterations in cancer and metabolic disease models. It is widely utilized as a metabolic tracer or reference compound in fluxomics and systems biology studies to elucidate network dynamics within the citric acid cycle. Additionally, cis-aconitate and related aconitate isomers have been reported to modulate biochemical pathways including inhibition of glutamate decarboxylase activity and suppression of IκB-α phosphorylation, implicating potential involvement in inflammatory signaling pathways such as NF-κB regulation, with observed bioactivity generally characterized in the nanomolar to micromolar range depending on assay conditions. In vitro and in vivo experimental applications often employ concentration ranges tailored to specific cell-based assays or animal models to study metabolic reprogramming, enzyme activity, and pathway interactions, supporting its use in mechanistic research and early-stage compound screening within biomedical and drug discovery contexts.
| Physical Appearance | Solid |
| Storage | -20°C |
| M.Wt | 174.11 |
| Cas No. | 585-84-2 |
| Formula | C6H6O6 |
| Solubility | ≥45.1 mg/mL in H2O; ≥49 mg/mL in EtOH; ≥55.2 mg/mL in DMSO |
| Chemical Name | (Z)-prop-1-ene-1,2,3-tricarboxylic acid |
| Canonical SMILES | O=C(O)/C([H])=C(C(O)=O)/CC(O)=O |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |







