| Primary information |
|---|
| ID | 20548 |
| Pubchem ID | 53481521 |
| Name | 4-Hydroxyestrone-2-S-glutathione |
| Description | 4-Hydroxyestrone-2-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. |
| Synonym | 3;4-Dihydroxy-1;3;5[10]-estratriene-17-one-2-S-glutathione;(2R)-2-Amino-4-{[(1S)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptade |
| Molecular Weight | 591.673 |
| Formula | C28H37N3O9S |
| IUPAC | (2R)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(15S)-5;6-dihydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadeca-2(7);3;5-trien-4-yl]sulfanyl}ethyl]carbamoyl}butanoic acid |
| SMILE | C[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=O |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0012780 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|