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

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ChEBI Name 16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate
ChEBI ID CHEBI:34170
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H30O5
Net Charge 0
Average Mass 386.482
Monoisotopic Mass 386.20932
InChI InChI=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
InChIKey QZHWBQCNOKNTPO-UIHBBMEUSA-N
SMILES CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
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ChEBI Ontology
Outgoing 16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate (CHEBI:34170) is a corticosteroid hormone (CHEBI:36699)
Synonyms Sources
16,17-Epoxydeoxycorticosterone acetate KEGG COMPOUND
16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate KEGG COMPOUND
Manual Xref Database
C14651 KEGG COMPOUND
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Registry Number Type Source
21853-83-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014