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CHEBI:86115 - (25R)-3β,4β-dihydroxycholest-5-en-26-al

ChEBI IDCHEBI:86115
ChEBI Name(25R)-3β,4β-dihydroxycholest-5-en-26-al
Stars
ASCII Name(25R)-3beta,4beta-dihydroxycholest-5-en-26-al
DefinitionA 26-oxo steroid resulting from the oxidation of the terminal methyl group of 4β,26-dihydroxycholesterol to the corresponding aldehyde.
Last Modified25 April 2017
Submitternhn
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H]C(=O)[C@H](C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h9,16-22,24-25,29-30H,5-8,10-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1
InChIKeyMHAIQEGJDLCDNU-KUYJPBLDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12077124)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) has role human xenobiotic metabolite (CHEBI:76967)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a 26-oxo steroid (CHEBI:36884)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a 3β-sterol (CHEBI:35348)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a 4-hydroxy steroid (CHEBI:62846)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a cholestanoid (CHEBI:50401)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a oxysterol (CHEBI:53030)
(25R)-3β,4β-dihydroxycholest-5-en-26-al (CHEBI:86115) is a steroid aldehyde (CHEBI:131565)
IUPAC Name 
(3β,4β,25R)-3,4-dihydroxycholest-5-en-26-al
UniProt Name  Source
(25R)-3β,4β-dihydroxycholest-5-en-26-alUniProt
Citations