EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156154 - 26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one

ChEBI IDCHEBI:156154
ChEBI Name26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H42O4
Net Charge0
Average Mass406.607
Monoisotopic Mass406.30831
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)=O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C25H42O4/c1-14(5-6-15(2)26)18-7-8-19-23-20(13-22(29)25(18,19)4)24(3)10-9-17(27)11-16(24)12-21(23)28/h14,16-23,27-29H,5-13H2,1-4H3/t14-,16+,17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKeyXZKHOQXQDMYABL-BCWNTCASSA-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)
26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one (CHEBI:156154) is a bile acid (CHEBI:3098)
IUPAC Name 
(5R)-5-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexan-2-one
Manual XrefsDatabases
LMST04070027LIPID MAPS