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CHEBI:186637 - 4-Methyl-cholest-5-en-3beta-ol

ChEBI IDCHEBI:186637
ChEBI Name4-Methyl-cholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILESCC(C)CCCC(C)[C@H]1CCC2C3CC=C4C(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h11,18-22,24-26,29H,7-10,12-17H2,1-6H3/t19?,20?,21?,22-,24?,25?,26+,27-,28+/m1/s1
InChIKeyPZELUKPNJYWGOY-DZFGPXBKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-Methyl-cholest-5-en-3beta-ol (CHEBI:186637) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,10R,13R,17R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01010137LIPID MAPS
24823273ChemSpider