CHEBI:231322 - (22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one
ChEBI ID CHEBI:231322
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C28H42O5
Net Charge 0
Average Mass 458.639
Monoisotopic Mass 458.30322
InChI InChI=1S/C28H42O5/c1-15(2)16(3)7-8-17(4)20-13-21(30)28(32)22-19(10-12-26(20,28)6)25(5)11-9-18(29)14-27(25)24(33-27)23(22)31/h7-8,15-18,20,23-24,29,31-32H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,20+,23-,24-,25+,26+,27-,28-/m0/s1
InChIKey REHUITFAGUCWCE-NYQRUVNGSA-N
SMILES C1[C@]2([C@]3(C[C@H](C1)O)[C@H]([C@H](C4=C2CC[C@]5([C@@]4(C(C[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)=O)O)C)O)O3)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via ergosterol )
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via ergosterol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one (CHEBI:231322) is a ergosterol (CHEBI:16933)
Synonym Source
(22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one SUBMITTER
Manual Xref Database
LMST01031185 LIPID MAPS instance accession
View more database links