CHEBI:28477 - 7α,12α-dihydroxycholest-4-en-3-one

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ChEBI Name 7α,12α-dihydroxycholest-4-en-3-one ChEBI ID CHEBI:28477 ChEBI ASCII Name 7alpha,12alpha-dihydroxycholest-4-en-3-one Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:2289, CHEBI:20797 Supplier Information ZINC000001530031 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 416.63646 Monoisotopic Mass 416.32905 InChI InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 InChIKey UQPYXHJTHPHOMM-NIBOIBLTSA-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)C Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) has role human metabolite (CHEBI:77746) 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) has role mouse metabolite (CHEBI:75771) 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 12α-hydroxy steroid (CHEBI:36846) 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 3-oxo-Δ4 steroid (CHEBI:47909) 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 7α-hydroxy steroid (CHEBI:36843) 7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a cholestanoid (CHEBI:50401) IUPAC Name 7α,12α-dihydroxycholest-4-en-3-one Synonyms Sources 4-cholesten-7α,12α-diol-3-one ChEBI 7alpha,12alpha-Dihydroxy-4-cholesten-3-one KEGG COMPOUND 7alpha,12alpha-Dihydroxycholest-4-en-3-one KEGG COMPOUND 7α,12α-dihydroxycholest-4-en-3-one UniProt Manual Xrefs Databases C17339 KEGG COMPOUND LMST04030114 LIPID MAPS View more database links Registry Number Type Source 1254-03-1 CAS Registry Number KEGG COMPOUND Citations Types Sources 11181760 PubMed citation Europe PMC 1194785 PubMed citation Europe PMC 1245792 PubMed citation Europe PMC 18624455 PubMed citation Europe PMC 19075558 PubMed citation Europe PMC 4380319 PubMed citation Europe PMC 4385432 PubMed citation Europe PMC 5640503 PubMed citation Europe PMC Last Modified 14 May 2024