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CHEBI:87044 - 4,4-dimethyl-5α-cholest-8-en-3β-ol

ChEBI IDCHEBI:87044
ChEBI Name4,4-dimethyl-5α-cholest-8-en-3β-ol
Stars
ASCII Name4,4-dimethyl-5alpha-cholest-8-en-3beta-ol
DefinitionA cholestanoid that is 5α-cholesta-8-en-3β-ol bearing two additional methyl substituents at position 4.
Secondary ChEBI IDCHEBI:80173
Last Modified27 January 2016
Submitterabridge
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1
InChIKeyFYHRVINOXYETMN-QGBOJXOESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) has role mouse metabolite (CHEBI:75771)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a 3β-sterol (CHEBI:35348)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a cholestanoid (CHEBI:50401)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
4,4-dimethyl-5α-cholest-8-en-3β-ol
Synonyms  Source
(3β,5α)-4,4-dimethylcholest-8-en-3-olIUPAC
3β-hydroxy-4,4-dimethyl-8(9)-cholesteneHMDB
3β-hydroxy-4,4-dimethylcholest-8(9)-eneHMDB
4,4-dimethyl-3β-hydroxy-8(9)-cholesteneHMDB
4,4-dimethyl-3β-hydroxycholest-8(9)-eneHMDB
4,4-dimethyl-5α-cholesta-8-en-3β-olHMDB
UniProt Name  Source
4,4-dimethyl-5α-cholest-8-en-3β-olUniProt
Manual XrefsDatabases
C15915KEGG COMPOUND
HMDB0006840HMDB
LMST01010225LIPID MAPS
Registry NumbersSources
Reaxys:2338175Reaxys
CAS:7240-15-5ChemIDplus