CHEBI:48833 - 7α,12α,26-trihydroxycholest-4-en-3-one

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ChEBI Name 7α,12α,26-trihydroxycholest-4-en-3-one
ChEBI ID CHEBI:48833
ChEBI ASCII Name 7alpha,12alpha,26-trihydroxycholest-4-en-3-one
Definition A cholestanoid that is cholest-4-en-3-one which has been substituted by hydroxy groups at the 7α, 12α, and 26 positions. It is an intermediate in bile acid metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Secondary ChEBI IDs CHEBI:141628
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.63586
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/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/h12,16-17,20-25,28,30-31H,5-11,13-15H2,1-4H3/t16?,17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey WOODKECARRKLJJ-DIJRFRLPSA-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])C[C@H](O)[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,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) has role bile acid metabolite (CHEBI:48887)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a 26-hydroxy steroid (CHEBI:36852)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a 3-oxo steroid (CHEBI:47788)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a 7α-hydroxy steroid (CHEBI:36843)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a C27-steroid (CHEBI:131619)
7α,12α,26-trihydroxycholest-4-en-3-one (CHEBI:48833) is a cholestanoid (CHEBI:50401)
IUPAC Name
7α,12α,26-trihydroxycholest-4-en-3-one
Synonyms Sources
4-cholesten-7α,12α,26-triol-3-one ChEBI
4-cholesten-7alpha,12alpha,27-triol-3-one ChEBI
Manual Xrefs Databases
HMDB0062400 HMDB
LMST04030158 LIPID MAPS
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Last Modified
23 August 2018