EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133627 - 24-ethylcoprostanol

ChEBI IDCHEBI:133627
ChEBI Name24-ethylcoprostanol
Stars
DefinitionA member of the class of phytosterols that is coprostanol carrying an additional ethyl substituent at position 24.
Last Modified23 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC29H52O
Net Charge0
Average Mass416.734
Monoisotopic Mass416.40182
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(CC)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyLGJMUZUPVCAVPU-OKGOGUTDSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Roles Classification
Biological Role:
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)
24-ethylcoprostanol (CHEBI:133627) has functional parent coprostanol (CHEBI:89519)
24-ethylcoprostanol (CHEBI:133627) has role plant metabolite (CHEBI:76924)
24-ethylcoprostanol (CHEBI:133627) is a 3-hydroxy steroid (CHEBI:36834)
24-ethylcoprostanol (CHEBI:133627) is a phytosterols (CHEBI:26125)
IUPAC Name 
(3β,5β,24ξ)-stigmastan-3-ol
Synonym  Source
24-ethyl-5β-cholestan-3β-olChEBI
Registry NumbersSources
Reaxys:6276638Reaxys