CHEBI:70337 - (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol ChEBI ID CHEBI:70337 ChEBI ASCII Name (22E,24R)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol Definition An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 5 and a methoxy group at position 6 (the 3β,5α,6β 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 C29H48O3 Net Charge 0 Average Mass 444.68960 Monoisotopic Mass 444.36035 InChI InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1 InChIKey GQVCGTRDXSDAHC-KNXFMRPFSA-N SMILES CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O 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)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) has functional parent cerevisterol (CHEBI:68083) (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) has role Aspergillus metabolite (CHEBI:76956) (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a 3β-hydroxy steroid (CHEBI:36836) (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a 5α-hydroxy steroid (CHEBI:38194) (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a ergostanoid (CHEBI:50403) (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a ether (CHEBI:25698) IUPAC Name (3β,5α,6β,22E)-6-methoxyergosta-7,22-diene-3,5-diol Synonyms Sources 6-methoxycerevisterol ChEBI 6-O-methylcerevisterol ChEBI Registry Number Type Source 23447396 Reaxys Registry Number Reaxys Citation Type Source 21043476 PubMed citation Europe PMC Last Modified 06 April 2021