Showing Metabocard for 2-methylmaleate (BASm0001769)
| Common Name | 2-methylmaleate |
|---|---|
| Description | Citraconic acid, also known as 2-methylmaleate or methylmaleic acid, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Citraconic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Citraconic acid is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
| Structure | |
| Molecular Formula | C5H6O4 |
| Average Mass | 130.10000 |
| Monoisotopic Mass | 130.02660 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 498-23-7 |
| SMILES | C/C(=C/C(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2- |
| InChI Key | HNEGQIOMVPPMNR-IHWYPQMZSA-N |
| CHEBI ID | CHEBI:30719 |
| State | 1 |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |