CHEBI:173046 - (25R)-24R,26R-dimethyl-26,27-cyclo-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 (25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol
ChEBI ID CHEBI:173046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H48O
Net Charge 0
Average Mass 412.702
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey AOOVLQXWRHMRMX-BFPAFGTMSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H]([C@]5([C@@H](C5)C)[H])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 (25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol (CHEBI:173046) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
168546 ChemSpider
LMST01110006 LIPID MAPS
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Registry Number Type Source
67314-15-2 CAS Registry Number ChemIDplus