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CHEBI:68396 - (22E)-24nor-cholesta-1,4,22-trien-3-one

ChEBI IDCHEBI:68396
ChEBI Name(22E)-24nor-cholesta-1,4,22-trien-3-one
Stars
ASCII Name(22E)-24nor-cholesta-1,4,22-trien-3-one
DefinitionA 3-oxo steroid that is (22E)-24nor-cholesta-1,4,22-triene substituted by an oxo group at position 3. It is isolated from the Hainan soft coral Dendronephthya studeri.
Last Modified30 January 2014
DownloadsMolfile
FormulaC26H38O
Net Charge0
Average Mass366.589
Monoisotopic Mass366.29227
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/C(C)C
InChIInChI=1S/C26H38O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKeyJSHASXVESQAJJO-MZXJRKPGSA-N
Species of MetaboliteComponentSourceComments
Dendronephthya studeri (WORMS:289144) - PubMed (21192715) Diethylether soluble extract of frozen soft coral
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
(22E)-24nor-cholesta-1,4,22-trien-3-one (CHEBI:68396) has role coral metabolite (CHEBI:76498)
(22E)-24nor-cholesta-1,4,22-trien-3-one (CHEBI:68396) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
Registry NumbersSources
Reaxys:21306702Reaxys
Citations