CHEBI:31674 - cortisol 17-butyrate

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ChEBI Name cortisol 17-butyrate ChEBI ID CHEBI:31674 Definition Cortisol esterified with butyric acid at the 17-hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C25H36O6 Net Charge 0 Average Mass 432.54974 Monoisotopic Mass 432.25119 InChI InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1 InChIKey BMCQMVFGOVHVNG-TUFAYURCSA-N SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCC)C(=O)CO Roles Classification Biological Role(s): drug allergen Any drug which causes the onset of an allergic reaction. Application(s): dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. drug allergen Any drug which causes the onset of an allergic reaction. View more via ChEBI Ontology ChEBI Ontology Outgoing cortisol 17-butyrate (CHEBI:31674) has role dermatologic drug (CHEBI:50177) cortisol 17-butyrate (CHEBI:31674) has role drug allergen (CHEBI:88188) cortisol 17-butyrate (CHEBI:31674) is a butyrate ester (CHEBI:50477) cortisol 17-butyrate (CHEBI:31674) is a cortisol ester (CHEBI:23396) cortisol 17-butyrate (CHEBI:31674) is a primary α-hydroxy ketone (CHEBI:139590) IUPAC Name 11β,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butanoate Synonyms Sources 11β,21-dihydroxy-17α-butyryloxy-4-pregnene-3,20-dione ChEBI 17-O-butyrylcortisol ChEBI H-17-B ChEBI Hydrocortisone 17-butyrate ChemIDplus Hydrocortisone butyrate KEGG DRUG Hydrocortisone-17alpha-butyrate ChemIDplus Manual Xrefs Databases 3959 DrugCentral D01619 KEGG DRUG DB00741 DrugBank Hydrocortisone-17-Butyrate Wikipedia View more database links Registry Numbers Types Sources 13609-67-1 CAS Registry Number ChemIDplus 13609-67-1 CAS Registry Number KEGG DRUG 3634702 Reaxys Registry Number Reaxys 3634702 Beilstein Registry Number Beilstein Citations Types Sources 16566122 PubMed citation Europe PMC 2265088 PubMed citation Europe PMC 24504495 PubMed citation Europe PMC 26085051 PubMed citation Europe PMC Last Modified 07 March 2019