CHEBI:173048 - (25R)-24R,26R-dimethyl-26,27-cyclo-5alpha-cholestan-3beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-5alpha-cholestan-3beta-ol
ChEBI ID CHEBI:173048
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H50O
Net Charge 0
Average Mass 414.718
Monoisotopic Mass 414.38617
InChI InChI=1S/C29H50O/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/h18-27,30H,6-17H2,1-5H3/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey DSCWSZBNGFQSCJ-RNFVLPFXSA-N
SMILES O[C@@H]1C[C@]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)[H]
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-5alpha-cholestan-3beta-ol (CHEBI:173048) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
29215711 ChemSpider
LMST01110010 LIPID MAPS
View more database links