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CHEBI:187936 - 24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol

ChEBI IDCHEBI:187936
ChEBI Name24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O3
Net Charge0
Average Mass446.716
Monoisotopic Mass446.37600
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@]4(C)[C@@]([H])([C@H](C)CCC(CC)C(=C)C)[C@H](O)C[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(31)15-24-22-11-10-20-14-21(30)12-13-28(20,5)23(22)16-26(32)29(24,27)6/h18-27,30-32H,2,7-16H2,1,3-6H3/t18-,19?,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyFMNHMKJQPJAHCG-HMZQBNBCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol (CHEBI:187936) has parent hydride stigmastane (CHEBI:26773)
24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol (CHEBI:187936) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5S,8R,9S,10S,12S,13S,14S,16R,17R)-17-[(2R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-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
LMST01040188LIPID MAPS
24626412ChemSpider