CHEBI:48825 - 7α,26-dihydroxycholest-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α,26-dihydroxycholest-4-en-3-one
ChEBI ID CHEBI:48825
ChEBI ASCII Name 7alpha,26-dihydroxycholest-4-en-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB8309112, eMolecules:477080, ZINC000000157526
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey KVJVJJWIEXCECB-GWUAJDSISA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO
Roles Classification
Biological Role(s): bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) has role bile acid metabolite (CHEBI:48887)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 26-hydroxy steroid (CHEBI:36852)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a 7α-hydroxy steroid (CHEBI:36843)
7α,26-dihydroxycholest-4-en-3-one (CHEBI:48825) is a cholestanoid (CHEBI:50401)
IUPAC Name
7α,26-dihydroxycholest-4-en-3-one
Synonym Source
4-cholesten-7α,26-diol-3-one ChEBI
Manual Xrefs Databases
C17336 KEGG COMPOUND
HMDB0012459 HMDB
LMST04030157 LIPID MAPS
View more database links
Registry Numbers Types Sources
4675-38-1 CAS Registry Number KEGG COMPOUND
6347657 Beilstein Registry Number Beilstein
Last Modified
04 May 2017