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CHEBI:30834 - aldosterone hemiacetal
| Formula | C21H28O5 |
| Net Charge | 0 |
| Average Mass | 360.450 |
| Monoisotopic Mass | 360.19367 |
| SMILES | [H][C@@]12CC[C@]([H])(C(=O)CO)[C@@]13C[C@H](OC3O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C |
| InChI | InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1 |
| InChIKey | QUQBHBRVKLEOEI-UBWIUKTRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aldosterone hemiacetal (CHEBI:30834) has functional parent aldosterone (CHEBI:27584) |
| aldosterone hemiacetal (CHEBI:30834) is a 20-oxo steroid (CHEBI:36885) |
| aldosterone hemiacetal (CHEBI:30834) is a 21-hydroxy steroid (CHEBI:35344) |
| aldosterone hemiacetal (CHEBI:30834) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| aldosterone hemiacetal (CHEBI:30834) is a primary α-hydroxy ketone (CHEBI:139590) |
| IUPAC Name |
|---|
| 18ξ,21-dihydroxy-11β,18-epoxypregn-4-ene-3,20-dione |
| Synonyms | Source |
|---|---|
| 11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione | KEGG COMPOUND |
| 11β,18-epoxy-18,21-dihydroxypregn-4-ene-3,20-dione | ChemIDplus |
| 11β,18-epoxy-18ξ-hydroxypregn-4-ene-3,20-dione | JCBN |
| 18,11-hemiacetal of 11β,21-dihydroxy-3,20-dioxopregn-4-en-18-al | JCBN |
| 3,20-Diketo-11-beta,18-oxido-4-pregnene-18,21-diol | ChemIDplus |
| aldosterone | JCBN |
| UniProt Name | Source |
|---|---|
| aldosterone hemiacetal | UniProt |