CHEBI:79804 - 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate

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ChEBI Name 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
ChEBI ID CHEBI:79804
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H34O6
Net Charge 0
Average Mass 418.52320
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-13-10-22(3)15(9-18(13)26)5-6-16-17-7-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22/h9,13,16-17,19,21,27,29H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1
InChIKey IKJVLEFNIBROAJ-GUTMJZMYSA-N
SMILES C[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)COC(C)=O)[C@@H]3CCC2=CC1=O
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 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79804) is a corticosteroid hormone (CHEBI:36699)
Synonyms Sources
17-Hydroxy-2alpha-methylcorticosterone 21-acetate KEGG COMPOUND
2alpha-Methylcortisol acetate KEGG COMPOUND
Manual Xref Database
C15302 KEGG COMPOUND
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