CHEBI:70333 - 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one ChEBI ID CHEBI:70333 ChEBI ASCII Name 3beta,11alpha-dihydroxyergosta-8,24(28)-dien-7-one Definition An ergostanoid that is (5α)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3β,11α 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 C28H44O3 Net Charge 0 Average Mass 428.64720 Monoisotopic Mass 428.32905 InChI InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h16,18-22,24,29,31H,3,7-15H2,1-2,4-6H3/t18-,19-,20+,21-,22+,24-,27+,28-/m1/s1 InChIKey IWSQIMKLMWQADE-MOKAYLCWSA-N SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O 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 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) has parent hydride 5α-ergostane (CHEBI:20652) 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) has role Aspergillus metabolite (CHEBI:76956) 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) is a 11α-hydroxy steroid (CHEBI:19129) 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) is a 3β-hydroxy steroid (CHEBI:36836) 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) is a 7-oxo steroid (CHEBI:47789) 3β,11α-dihydroxyergosta-8,24(28)-dien-7-one (CHEBI:70333) is a ergostanoid (CHEBI:50403) IUPAC Name (3β,5α,11α)-3,11-dihydroxyergosta-8,24(28)-dien-7-one Registry Number Type Source 21092009 Reaxys Registry Number Reaxys Citation Type Source 21043476 PubMed citation Europe PMC Last Modified 13 January 2014