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CHEBI:68081 - blazein

ChEBI IDCHEBI:68081
ChEBI Nameblazein
Stars
DefinitionAn 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 stereoisomer). It has been isolated from the fungus, Xylaria species.
Last Modified6 April 2021
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
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](OC)[C@@]2(O)C[C@@H](O)CC[C@]12C
InChIInChI=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
InChIKeyGQVCGTRDXSDAHC-KNXFMRPFSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (21428374) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
blazein (CHEBI:68081) has role fungal metabolite (CHEBI:76946)
blazein (CHEBI:68081) is a 3β-hydroxy steroid (CHEBI:36836)
blazein (CHEBI:68081) is a 5α-hydroxy steroid (CHEBI:38194)
blazein (CHEBI:68081) is a ergostanoid (CHEBI:50403)
blazein (CHEBI:68081) is a ether (CHEBI:25698)
IUPAC Name 
(22E)-6β-methoxyergosta-7,22-diene-3β,5α-diol
Registry NumbersSources
Reaxys:3656902Reaxys
CAS:126060-09-1ChEBI
Citations