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CHEBI:34170 - 16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate

ChEBI IDCHEBI:34170
ChEBI Name16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@]21C(=O)COC(C)=O
InChIInChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1
InChIKeyQZHWBQCNOKNTPO-UIHBBMEUSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate (CHEBI:34170) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetateKEGG COMPOUND
16,17-Epoxydeoxycorticosterone acetateKEGG COMPOUND
Manual XrefsDatabases
C14651KEGG COMPOUND
Registry NumbersSources
CAS:21853-83-8KEGG COMPOUND