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CHEBI:228300 - asterasterol B
| Formula | C27H44O6S |
| Net Charge | 0 |
| Average Mass | 496.710 |
| Monoisotopic Mass | 496.28586 |
| SMILES | [H][C@]12C[C@H](O)CC[C@]1(C)C1CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)CCCC(C)COS(=O)(=O)O)C1=CC2=O |
| InChI | InChI=1S/C27H44O6S/c1-17(16-33-34(30,31)32)6-5-7-18(2)21-8-9-22-20-15-25(29)24-14-19(28)10-12-27(24,4)23(20)11-13-26(21,22)3/h15,17-19,21-24,28H,5-14,16H2,1-4H3,(H,30,31,32)/t17?,18-,19-,21-,22?,23?,24-,26-,27-/m1/s1 |
| InChIKey | RMEOUMVWIZBVED-QMUZVXOZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Asteriidae (ncbitaxon:7600) | - | DOI (10.1016/S0040-4020(97)00531-0) |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| asterasterol B (CHEBI:228300) has role animal metabolite (CHEBI:75767) |
| asterasterol B (CHEBI:228300) has role marine metabolite (CHEBI:76507) |
| asterasterol B (CHEBI:228300) is a 3α-hydroxy steroid (CHEBI:36835) |
| asterasterol B (CHEBI:228300) is a 6-oxo steroid (CHEBI:36883) |
| asterasterol B (CHEBI:228300) is a C27-steroid (CHEBI:131619) |
| asterasterol B (CHEBI:228300) is a sulfooxy steroid (CHEBI:52035) |
| IUPAC Name |
|---|
| (9ξ,14ξ)-3α-hydroxy-6-oxo-5α-cholest-7-en-26-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 3α-hydroxy-26-sulphoxy-5α-cholest-7-en-6-one | ChEBI |
| (+)-asterasterol B | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:193008-26-3 | ChEBI |