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CHEBI:173004 - 24,24,26,27-tetramethylcholesta-5,25Z-dien-3beta-ol

ChEBI IDCHEBI:173004
ChEBI Name24,24,26,27-tetramethylcholesta-5,25Z-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O
Net Charge0
Average Mass440.756
Monoisotopic Mass440.40182
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)(C)/C(=C\C)CC
InChIInChI=1S/C31H52O/c1-8-22(9-2)29(4,5)17-14-21(3)26-12-13-27-25-11-10-23-20-24(32)15-18-30(23,6)28(25)16-19-31(26,27)7/h8,10,21,24-28,32H,9,11-20H2,1-7H3/b22-8-/t21-,24+,25+,26-,27+,28+,30+,31-/m1/s1
InChIKeyFCNPAHAMCOHEQW-HXMNXFIYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
24,24,26,27-tetramethylcholesta-5,25Z-dien-3beta-ol (CHEBI:173004) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-6-ethyl-5,5-dimethyloct-6-en-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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