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CHEBI:173040 - 24-ethyl-24-methyl-cholest-5-en-3beta-ol

ChEBI IDCHEBI:173040
ChEBI Name24-ethyl-24-methyl-cholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
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)CCC(C)(CC)C(C)C
InChIInChI=1S/C30H52O/c1-8-28(5,20(2)3)16-13-21(4)25-11-12-26-24-10-9-22-19-23(31)14-17-29(22,6)27(24)15-18-30(25,26)7/h9,20-21,23-27,31H,8,10-19H2,1-7H3/t21-,23+,24+,25-,26+,27+,28?,29+,30-/m1/s1
InChIKeyAVDOFVAJRSPNNQ-XOMZWEAASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
24-ethyl-24-methyl-cholest-5-en-3beta-ol (CHEBI:173040) has parent hydride stigmastane (CHEBI:26773)
24-ethyl-24-methyl-cholest-5-en-3beta-ol (CHEBI:173040) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
20169525ChemSpider
LMST01050015LIPID MAPS