CHEBI:31674 - cortisol 17-butyrate

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ChEBI Name cortisol 17-butyrate
Definition Cortisol esterified with butyric acid at the 17-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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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
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)
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
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 Waiting for 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