EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68389 - (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol

ChEBI IDCHEBI:68389
ChEBI Name(22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Stars
ASCII Name(22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol
DefinitionA 3-hydroxy steroid that is (22E)-19-norcholesta-1,3,5(10),22-tetraene substituted by a hydroxy group at position 3.It is isolated from the Hainan soft coral Dendronephthya studeri.
Last Modified27 November 2013
DownloadsMolfile
FormulaC26H38O
Net Charge0
Average Mass366.589
Monoisotopic Mass366.29227
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/CC(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C26H38O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h5,7,9,11,16-18,22-25,27H,6,8,10,12-15H2,1-4H3/b7-5+/t18-,22-,23-,24-,25+,26-/m1/s1
InChIKeyOBWGUKUMNJWSCT-VBDYUURPSA-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)-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68389) has role coral metabolite (CHEBI:76498)
(22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68389) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(17β)-17-[(2R,3E)-6-methylhept-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry NumbersSources
Reaxys:21306705Reaxys
Citations