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CHEBI:173007 - 4alpha,23R,24R-trimethyl-5alpha-cholest-17E(20)-en-3beta-ol

ChEBI IDCHEBI:173007
ChEBI Name4alpha,23R,24R-trimethyl-5alpha-cholest-17E(20)-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
SMILES[H][C@@]12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)/C(=C(\C)C[C@@H](C)[C@H](C)C(C)C)CC[C@@]21[H]
InChIInChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-19,21-23,25-28,31H,9-17H2,1-8H3/b24-20+/t19-,21-,22+,23+,25+,26+,27+,28+,29-,30+/m1/s1
InChIKeyKNPKKSRQOSDIJN-GUQADTFUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
4alpha,23R,24R-trimethyl-5alpha-cholest-17E(20)-en-3beta-ol (CHEBI:173007) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5S,8R,9S,10R,13S,14S,17E)-4,10,13-trimethyl-17-[(4R,5R)-4,5,6-trimethylheptan-2-ylidene]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01031046LIPID MAPS
29212410ChemSpider