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CHEBI:187081 - 24-methylene-cholest-5-en-3beta,17alpha,22S-triol

ChEBI IDCHEBI:187081
ChEBI Name24-methylene-cholest-5-en-3beta,17alpha,22S-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
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(O)[C@H](C)[C@@H](O)CC(=C)C(C)C
InChIInChI=1S/C28H46O3/c1-17(2)18(3)15-25(30)19(4)28(31)14-11-24-22-8-7-20-16-21(29)9-12-26(20,5)23(22)10-13-27(24,28)6/h7,17,19,21-25,29-31H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1
InChIKeyKBTPEFUFGHDLIZ-VKIAQROPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
24-methylene-cholest-5-en-3beta,17alpha,22S-triol (CHEBI:187081) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,8R,9S,10R,13S,14S,17S)-17-[(2R,3S)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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