EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183105 - 3,26-Dihydroxycholest-5-ene-16,22-dione

ChEBI IDCHEBI:183105
ChEBI Name3,26-Dihydroxycholest-5-ene-16,22-dione
Stars
Last Modified2 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILESCC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
InChIInChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3
InChIKeyGDKGOXUWEBGZBY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,26-Dihydroxycholest-5-ene-16,22-dione (CHEBI:183105) is a cholanoid (CHEBI:36078)
IUPAC Name 
3-hydroxy-17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
19975287ChemSpider