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CHEBI:181118 - 5alpha-Cholestane-3alpha,7alpha,12alpha,26-tetrol

ChEBI IDCHEBI:181118
ChEBI Name5alpha-Cholestane-3alpha,7alpha,12alpha,26-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
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)CCCC(C)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O4/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/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyXJZGNVBLVFOSKJ-PLAINUPSSA-N
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-Cholestane-3alpha,7alpha,12alpha,26-tetrol (CHEBI:181118) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-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
4447275ChemSpider
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