CHEBI:70335 - (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one

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ChEBI Name (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one ChEBI ID CHEBI:70335 ChEBI ASCII Name (22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one Definition An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3, 5 and 9 and an oxo group at position 6 (the 3β,5α stereoisomer). It has been isolated from Aspergillus ochraceus. 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 C28H44O4 Net Charge 0 Average Mass 444.64660 Monoisotopic Mass 444.32396 InChI InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1 InChIKey GUERPVMWCQXYEU-IHEPTZRRSA-N SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C Metabolite of Species Details 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 (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) has role Aspergillus metabolite (CHEBI:76956) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a 3β-hydroxy steroid (CHEBI:36836) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a 5α-hydroxy steroid (CHEBI:38194) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a 6-oxo steroid (CHEBI:36883) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a 9-hydroxy steroid (CHEBI:63644) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a ergostanoid (CHEBI:50403) (22E,24R)-3β,5α,9α-trihydroxyergosta-7,22-dien-6-one (CHEBI:70335) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name (3β,5α,22E)-3,5,9-trihydroxyergosta-7,22-dien-6-one Registry Number Type Source 5159144 Reaxys Registry Number Reaxys Citation Type Source 21043476 PubMed citation Europe PMC Last Modified 06 February 2018