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CHEBI:187951 - 24-methylene-cholest-5-en-3beta,23S-diol

ChEBI IDCHEBI:187951
ChEBI Name24-methylene-cholest-5-en-3beta,23S-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
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@H](O)C(=C)C(C)C
InChIInChI=1S/C28H46O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-18,21-26,29-30H,4,8-16H2,1-3,5-6H3/t18-,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyNMTGDMNIHVGVNP-UVDVHAOQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
24-methylene-cholest-5-en-3beta,23S-diol (CHEBI:187951) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,4S)-4-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
27024009ChemSpider
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