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CHEBI:184783 - 5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol

ChEBI IDCHEBI:184783
ChEBI Name5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC/C(C)=C/O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15,17-25,28-31H,5-14H2,1-4H3/b16-15+/t17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyNNGGTBKKGNUHML-AVIVXOQHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5alpha-Cholest-25-ene-3alpha,7alpha,12alpha,26-tetrol (CHEBI:184783) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(E,2R)-7-hydroxy-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-3,7,12-triol
Manual XrefsDatabases
4447340ChemSpider
LMST04030088LIPID MAPS