Showing Metabocard for 3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoate (BASm0001644)
| Common Name | 3-carboxy-2-hydroxy-7-methyl-6-oxo-(2z,4z)-octadienoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C10H12O6 |
| Average Mass | 228.20000 |
| Monoisotopic Mass | 228.06339 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C)C(=O)/C=C\C(C(=O)[O-])=C(\O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/b4-3-,8-6- |
| InChI Key | QIADQBIXDULDTJ-XYMCEGRYSA-N |
| CHEBI ID | CHEBI:28977 |
| State | Not Available |
| 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 |