CHEBI:198996 - (14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione

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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 (14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione
ChEBI ID CHEBI:198996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O3
Net Charge 0
Average Mass 426.641
Monoisotopic Mass 426.31340
InChI InChI=1S/C28H42O3/c1-17(2)18(3)7-8-19(4)21-11-14-28(31)23-16-25(30)24-15-20(29)9-12-26(24,5)22(23)10-13-27(21,28)6/h7-8,16-19,21-22,24,31H,9-15H2,1-6H3/b8-7+/t18-,19+,21+,22-,24?,26+,27+,28+/m0/s1
InChIKey YVONXZZGYWHPNV-CYHKETEUSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CC[C@@H]2[C@@]4(C1CC(=O)CC4)C)C
Metabolite of Species Details
Taiwanofungus camphoratus (NCBI:txid2696576) See: PubMed
ChEBI Ontology
Outgoing (14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione (CHEBI:198996) is a ergostanoid (CHEBI:50403)
IUPAC Name
(9R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
Manual Xref Database
78442274 ChemSpider
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