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CHEBI:186098 - 5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol

ChEBI IDCHEBI:186098
ChEBI Name5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3([H])[C@H](C)CC[C@H](O)C(C)C)[C@]1(O)C[C@H](O)[C@@]1([H])C[C@@H](O)CC[C@]21C
InChIInChI=1S/C27H48O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-24,28-32H,6-14H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+,23-,24-,25+,26-,27+/m1/s1
InChIKeySOWQHVUKEGVMMG-ZQPKGGOUSA-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)
5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol (CHEBI:186098) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,5S,6S,8S,9R,10S,13R,14S,15S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol
Manual XrefsDatabases
29216068ChemSpider