CHEBI:2288 - 7α,12α-dihydroxy-5β-cholestan-3-one

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ChEBI Name 7α,12α-dihydroxy-5β-cholestan-3-one ChEBI ID CHEBI:2288 ChEBI ASCII Name 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one Definition A 3-oxo-5β-steroid that is 5β-cholestan-3-one bearing two additional hydroxy substituents at positions 7α and 12α. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information eMolecules:31230239, ZINC000013543186 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H46O3 Net Charge 0 Average Mass 418.65234 Monoisotopic Mass 418.34470 InChI InChI=1S/C27H46O3/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/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 InChIKey HHVQPBXBALLUDF-QORHGLQKSA-N SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2 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-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has parent hydride 5β-cholestane (CHEBI:35517) 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has role human metabolite (CHEBI:77746) 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has role mouse metabolite (CHEBI:75771) 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 12α-hydroxy steroid (CHEBI:36846) 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 3-oxo-5β-steroid (CHEBI:1624) 7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) is a 7α-hydroxy steroid (CHEBI:36843) IUPAC Name 7α,12α-dihydroxy-5β-cholestan-3-one Synonyms Sources 5β-cholestane-7α,12α-diol-3-one MetaCyc 5beta-Cholesten-7alpha,12alpha-diol-3-one KEGG COMPOUND 7α,12α-dihydroxy-5β-cholestan-3-one UniProt 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one KEGG COMPOUND Manual Xrefs Databases C05453 KEGG COMPOUND CPD-10503 MetaCyc HMDB0006887 HMDB LMST04030113 LIPID MAPS View more database links Registry Number Type Source 3163548 Reaxys Registry Number Reaxys Last Modified 26 April 2017