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CHEBI:173046 - (25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol

ChEBI IDCHEBI:173046
ChEBI Name(25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]1([C@H](C)CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@@]32C)C[C@H]1C
InChIInChI=1S/C29H48O/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/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyAOOVLQXWRHMRMX-BFPAFGTMSA-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-cholest-5-en-3beta-ol (CHEBI:173046) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01110006LIPID MAPS
168546ChemSpider
Registry NumbersSources
CAS:67314-15-2ChemIDplus