Showing Metabocard for benzene-1,2,4-triol (BASm0000801)
| Common Name | Benzene-1,2,4-triol |
|---|---|
| Description | Benzene-1,2,4-triol is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of benzene-1,3-diol. It is generated by cyp2e1 enzyme via a hydroxylation-of-benzene-ortho-to-strongly-edg reaction. This hydroxylation-of-benzene-ortho-to-strongly-edg occurs in humans. |
| Structure | |
| Molecular Formula | C6H6O3 |
| Average Mass | 126.11000 |
| Monoisotopic Mass | 126.03169 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | Oc1ccc(O)c(O)c1 |
| InChI Identifier | InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H |
| InChI Key | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16971 |
| HMDB ID | HMDB0124831 |
| 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 |