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CHEBI:183530 - 24-methylene-5alpha-cholestan-3alpha,12alpha,16alpha-triol

ChEBI IDCHEBI:183530
ChEBI Name24-methylene-5alpha-cholestan-3alpha,12alpha,16alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O3
Net Charge0
Average Mass432.689
Monoisotopic Mass432.36035
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@]4(C)[C@@]([H])([C@H](C)CCC(=C)C(C)C)[C@H](O)C[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyTXNNVGFGCZGHTJ-MRJHAOBPSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
24-methylene-5alpha-cholestan-3alpha,12alpha,16alpha-triol (CHEBI:183530) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3R,5S,8R,9S,10S,12S,13S,14S,16R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12,16-triol
Manual XrefsDatabases
24627911ChemSpider
LMST01031089LIPID MAPS