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

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ChEBI Name (25R)-3β,4β-dihydroxycholest-5-en-26-al ChEBI ID CHEBI:86115 ChEBI ASCII Name (25R)-3beta,4beta-dihydroxycholest-5-en-26-al Definition A 26-oxo steroid resulting from the oxidation of the terminal methyl group of 4β,26-dihydroxycholesterol to the corresponding aldehyde. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O3 Net Charge 0 Average Mass 416.63650 Monoisotopic Mass 416.32905 InChI InChI=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 InChIKey MHAIQEGJDLCDNU-KUYJPBLDSA-N SMILES C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing (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 Synonym Source (25R)-3β,4β-dihydroxycholest-5-en-26-al UniProt Citation Type Source 12077124 PubMed citation SUBMITTER Last Modified 25 April 2017