CHEBI:34352 - 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one

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ChEBI Name 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one ChEBI ID CHEBI:34352 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C21H34O4 C21H34O4 Net Charge 0 Average Mass 350.493 Monoisotopic Mass 350.24571 InChI InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1 InChIKey UPTAPIKFKZGAGM-FAIYVORSSA-N SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one (CHEBI:34352) is a 21-hydroxy steroid (CHEBI:35344) Synonyms Sources 1-[(1S,2S,5R,7R,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one HMDB 11-Deoxytetrahydrocortisol HMDB 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one HMDB 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one KEGG COMPOUND 5beta-Pregnane-3alpha,17alpha,21-triol-20-one HMDB Tetrahydro-11-deoxycortisol KEGG COMPOUND Tetrahydro-S HMDB Tetrahydrocortexolone HMDB Manual Xrefs Databases C14594 KEGG COMPOUND HMDB0005972 HMDB View more database links Registry Number Type Source 68-60-0 CAS Registry Number KEGG COMPOUND Citations Types Sources 14643447 PubMed citation Europe PMC 15272911 PubMed citation Europe PMC 15522937 PubMed citation Europe PMC 16984984 PubMed citation Europe PMC Last Modified 23 October 2015