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

Default Structure
ChEBI IDCHEBI:48833
ChEBI Name7α,12α,26-trihydroxycholest-4-en-3-one
Stars
ASCII Name7alpha,12alpha,26-trihydroxycholest-4-en-3-one
DefinitionA 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.
Secondary ChEBI IDCHEBI:141628
Last Modified23 August 2018
SubmitterBijay, Marcus Ennis
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)CO)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@@]21C
InChIInChI=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
InChIKeyWOODKECARRKLJJ-DIJRFRLPSA-N
Roles Classification
Biological Role:
bile acid metabolite  Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-cholesten-7alpha,12alpha,27-triol-3-oneChEBI
4-cholesten-7α,12α,26-triol-3-oneChEBI
Manual XrefsDatabases
HMDB0062400HMDB
LMST04030158LIPID MAPS