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CHEBI:68083 - cerevisterol

ChEBI IDCHEBI:68083
ChEBI Namecerevisterol
Stars
DefinitionAn 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.
Last Modified6 April 2021
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C
InChIInChI=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
InChIKeyARXHRTZAVQOQEU-BRVLHLJYSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (21428374) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate
Aspergillus ochraceus (ncbitaxon:40380) mycelium (BTO:0001436) PubMed (21043476) MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum Strain: EN 31
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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 NumbersSources
Reaxys:3224240Reaxys
CAS:516-37-0ChemIDplus
Citations