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CHEBI:173048 - (25R)-24R,26R-dimethyl-26,27-cyclo-5alpha-cholestan-3beta-ol

ChEBI IDCHEBI:173048
ChEBI Name(25R)-24R,26R-dimethyl-26,27-cyclo-5alpha-cholestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]1([C@H](C)CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@@]32C)C[C@H]1C
InChIInChI=1S/C29H50O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h18-27,30H,6-17H2,1-5H3/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyDSCWSZBNGFQSCJ-RNFVLPFXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(25R)-24R,26R-dimethyl-26,27-cyclo-5alpha-cholestan-3beta-ol (CHEBI:173048) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01110010LIPID MAPS
29215711ChemSpider