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CHEBI:173000 - (25S)-24R,26-dimethylcholest-5-en-3beta-ol

ChEBI IDCHEBI:173000
ChEBI Name(25S)-24R,26-dimethylcholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](C)[C@@H](C)CC
InChIInChI=1S/C29H50O/c1-7-19(2)20(3)8-9-21(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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t19-,20+,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKeyKBCUEZZDVQYXRC-VMQVIPOFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(25S)-24R,26-dimethylcholest-5-en-3beta-ol (CHEBI:173000) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R,6S)-5,6-dimethyloctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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27025864ChemSpider
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