CHEBI:68081 - blazein

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ChEBI Name blazein
ChEBI ID CHEBI:68081
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 stereoisomer). It has been isolated from the fungus, Xylaria species.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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
Xylaria (NCBI:txid37991) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
126060-09-1 CAS Registry Number ChEBI
3656902 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19020714 PubMed citation Europe PMC
21428374 PubMed citation Europe PMC
Last Modified
06 April 2021