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CHEBI:172971 - 23-methylene-cholest-5-en-3beta-ol

ChEBI IDCHEBI:172971
ChEBI Name23-methylene-cholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)C(=C)CCC(C)C
InChIInChI=1S/C28H46O/c1-18(2)7-8-19(3)20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyAQZKOFZGLJSRLJ-PXBBAZSNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-methylene-cholest-5-en-3beta-ol (CHEBI:172971) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-3-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01010282LIPID MAPS
10380028ChemSpider