CHEBI:17609 - cortisol 21-acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cortisol 21-acetate
ChEBI ID CHEBI:17609
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3894, CHEBI:14024, CHEBI:23394, CHEBI:58204
Supplier Information
Download Molfile XML SDF
Formula C23H32O6
Net Charge 0
Average Mass 404.49660
Monoisotopic Mass 404.220
InChI InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey ALEXXDVDDISNDU-JZYPGELDSA-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(O)C(=O)COC(C)=O
ChEBI Ontology
Outgoing cortisol 21-acetate (CHEBI:17609) is a cortisol ester (CHEBI:23396)
cortisol 21-acetate (CHEBI:17609) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
Synonyms Sources
21-O-acetylcortisol JCBN
Cortell KEGG COMPOUND
Cortisol 21-acetate KEGG COMPOUND
cortisol 21-acetate UniProt
cortisol acetate ChEBI
hydrocortisone 21-acetate ChEBI
Hydrocortisone acetate KEGG COMPOUND
Manual Xrefs Databases
4213 DrugCentral
C02821 KEGG COMPOUND
D00165 KEGG DRUG
DB00741 DrugBank
LMST02030093 LIPID MAPS
View more database links
Registry Numbers Types Sources
2066841 Beilstein Registry Number Beilstein
50-03-3 CAS Registry Number KEGG COMPOUND
Last Modified
07 February 2018