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CHEBI:140469 - 17,20,21-trihydroxypregn-1-ene-3,11-dione

ChEBI IDCHEBI:140469
ChEBI Name17,20,21-trihydroxypregn-1-ene-3,11-dione
Stars
Last Modified23 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12CC[C@](O)(C(O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2CC(=O)C=C[C@@]21C
InChIInChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,12,14-15,17-18,22,25-26H,3-4,6,8-11H2,1-2H3/t12?,14-,15-,17?,18+,19-,20-,21-/m0/s1
InChIKeyYKQDRSAOXBPFTF-YMGFOEPYSA-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)
17,20,21-trihydroxypregn-1-ene-3,11-dione (CHEBI:140469) is a corticosteroid hormone (CHEBI:36699)