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CHEBI:32042 - Prednisolone 21-all-cis-farnesylate

ChEBI IDCHEBI:32042
ChEBI NamePrednisolone 21-all-cis-farnesylate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H50O6
Net Charge0
Average Mass578.790
Monoisotopic Mass578.36074
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)/C=C(/C)CC/C=C(/C)CCC=C(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11-,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1
InChIKeySBQAKZYUNWNIRL-WNWSKZGLSA-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)
Prednisolone 21-all-cis-farnesylate (CHEBI:32042) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
Prednisolone 21-all-cis-farnesylateKEGG COMPOUND
Manual XrefsDatabases
C13554KEGG COMPOUND
Registry NumbersSources
CAS:118244-45-4KEGG COMPOUND