CHEBI:79702 - 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione

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ChEBI Name 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione
ChEBI ID CHEBI:79702
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H30O5
Net Charge 0
Average Mass 386.48130
Monoisotopic Mass 386.20932
InChI InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,9,12,17-19,27H,4-5,7-8,10-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1
InChIKey WVRZJAMAOJQSRN-JZTHCNPZSA-N
SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione (CHEBI:79702) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
11-Deoxyprednisone acetate KEGG COMPOUND
Manual Xref Database
C15185 KEGG COMPOUND
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