CHEBI:173003 - 24,24,26,27-tetramethylcholesta-5,25E-dien-3beta-ol

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ChEBI Name 24,24,26,27-tetramethylcholesta-5,25E-dien-3beta-ol
ChEBI ID CHEBI:173003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O
Net Charge 0
Average Mass 440.756
Monoisotopic Mass 440.40182
InChI InChI=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
InChIKey FCNPAHAMCOHEQW-QEHLDDBUSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(/C(/CC)=C/C)(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 24,24,26,27-tetramethylcholesta-5,25E-dien-3beta-ol (CHEBI:173003) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,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
Manual Xrefs Databases
29212461 ChemSpider
LMST01031038 LIPID MAPS
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