CHEBI:68395 - 24-methylenecholesta-1,4-dien-3-one

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ChEBI Name 24-methylenecholesta-1,4-dien-3-one
ChEBI ID CHEBI:68395
Definition An ergostanoid that is ergosta-1,4,24(28)-triene substituted by an oxo group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H42O
Net Charge 0
Average Mass 394.63250
Monoisotopic Mass 394.32357
InChI InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h13,15,17-18,20,23-26H,3,7-12,14,16H2,1-2,4-6H3/t20-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey UVAVWWCPGAHKIW-QVMRCSLBSA-N
SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Dendronephthya studeri (WORMS:289144) Diethylether soluble extract of frozen soft coral See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 24-methylenecholesta-1,4-dien-3-one (CHEBI:68395) has role coral metabolite (CHEBI:76498)
24-methylenecholesta-1,4-dien-3-one (CHEBI:68395) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
24-methylenecholesta-1,4-dien-3-one (CHEBI:68395) is a ergostanoid (CHEBI:50403)
IUPAC Name
ergosta-1,4,24(28)-trien-3-one
Registry Number Type Source
21306709 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21192715 PubMed citation Europe PMC
Last Modified
30 January 2014