CHEBI:68083 - cerevisterol

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ChEBI Name cerevisterol ChEBI ID CHEBI:68083 Definition An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3, 5 and 6 (the 3β,5α,6β stereoisomer). It has been isolated from the fungus, Xylaria species. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H46O3 Net Charge 0 Average Mass 430.66300 Monoisotopic Mass 430.34470 InChI InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1 InChIKey ARXHRTZAVQOQEU-BRVLHLJYSA-N SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Metabolite of Species Details Xylaria (NCBI:txid37991) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate See: PubMed Aspergillus ochraceus (NCBI:txid40380) Found in mycelium (BTO:0001436). MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum of strain EN 31 See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing cerevisterol (CHEBI:68083) has role Aspergillus metabolite (CHEBI:76956) cerevisterol (CHEBI:68083) is a 3β-hydroxy steroid (CHEBI:36836) cerevisterol (CHEBI:68083) is a 5α-hydroxy steroid (CHEBI:38194) cerevisterol (CHEBI:68083) is a 6β-hydroxy steroid (CHEBI:36851) cerevisterol (CHEBI:68083) is a ergostanoid (CHEBI:50403) Incoming (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) has functional parent cerevisterol (CHEBI:68083) IUPAC Name (22E)-ergosta-7,22-diene-3β,5α,6β-triol Registry Numbers Types Sources 3224240 Reaxys Registry Number Reaxys 516-37-0 CAS Registry Number ChemIDplus Citations Types Sources 21043476 PubMed citation Europe PMC 21428374 PubMed citation Europe PMC Last Modified 06 April 2021