CHEBI:84145 - 3β-hydroxycholest-5-en-26-al

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ChEBI Name 3β-hydroxycholest-5-en-26-al ChEBI ID CHEBI:84145 ChEBI ASCII Name 3beta-hydroxycholest-5-en-26-al Definition A 26-oxo steroid resulting from the oxidation of one of the terminal methyl groups of cholesterol 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 C27H44O2 Net Charge 0 Average Mass 400.63710 Monoisotopic Mass 400.33413 InChI InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 InChIKey JUGXQEJPWDYOJV-CCDZVGGQSA-N SMILES CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O Metabolite of Species Details Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3β-hydroxycholest-5-en-26-al (CHEBI:84145) has functional parent cholesterol (CHEBI:16113) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) has role bacterial metabolite (CHEBI:76969) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 26-oxo steroid (CHEBI:36884) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 3β-sterol (CHEBI:35348) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a cholestanoid (CHEBI:50401) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a oxysterol (CHEBI:53030) 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a steroid aldehyde (CHEBI:131565) Incoming (25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096) is a 3β-hydroxycholest-5-en-26-al (CHEBI:84145) IUPAC Name (3β)-hydroxycholest-5-en-26-al Synonym Source (3β)-hydroxy-cholest-5-en-26-al UniProt Registry Number Type Source 8008227 Reaxys Registry Number Reaxys Citation Type Source 20843794 PubMed citation SUBMITTER Last Modified 25 April 2017