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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-ethyl-24-methyl-cholest-5-en-3beta-ol
ChEBI ID CHEBI:173040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H52O
Net Charge 0
Average Mass 428.745
Monoisotopic Mass 428.40182
InChI InChI=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
InChIKey AVDOFVAJRSPNNQ-XOMZWEAASA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(C(C)C)(CC)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-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 Xrefs Databases
20169525 ChemSpider
LMST01050015 LIPID MAPS
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