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CHEBI:177427 - fluocortolone pivalate

ChEBI IDCHEBI:177427
ChEBI Namefluocortolone pivalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37FO5
Net Charge0
Average Mass460.586
Monoisotopic Mass460.26250
SMILES[H][C@@]12C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](C(=O)COC(=O)C(C)(C)C)[C@H](C)C[C@@]21[H]
InChIInChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1
InChIKeyXZBJVIQXJHGUBE-HZMVJJPJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
fluocortolone pivalate (CHEBI:177427) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Manual XrefsDatabases
D07973KEGG DRUG
DB15777DrugBank
107027ChemSpider
Registry NumbersSources
CAS:29205-06-9ChemIDplus