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CHEBI:67564 - paraminabeolide E

ChEBI IDCHEBI:67564
ChEBI Nameparaminabeolide E
Stars
DefinitionA withanolide that is the C-25 epimer of paraminabeolide D. It has been isolated from a Formosan soft coral Paraminabea acronocephala.
Last Modified30 January 2014
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILES[H][C@@]1([C@@H](O)[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])CC[C@@]32C)OC(=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16-,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1
InChIKeyUISXVQNCBCKQHL-RKXKHITBSA-N
Species of MetaboliteComponentSourceComments
Paraminabea acronocephala (WORMS:290662) - PubMed (21425785) Ethanolic extract of minced frozen bodies
Roles Classification
Biological Roles:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
paraminabeolide E (CHEBI:67564) has role coral metabolite (CHEBI:76498)
paraminabeolide E (CHEBI:67564) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
paraminabeolide E (CHEBI:67564) is a ergostanoid (CHEBI:50403)
paraminabeolide E (CHEBI:67564) is a secondary alcohol (CHEBI:35681)
paraminabeolide E (CHEBI:67564) is a withanolide (CHEBI:74716)
paraminabeolide E (CHEBI:67564) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(22S,23R,24S,25S)-22-hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione
Registry NumbersSources
Reaxys:21534302Reaxys
Citations