CHEBI:177427 - fluocortolone pivalate

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ChEBI Name fluocortolone pivalate
ChEBI ID CHEBI:177427
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37FO5
Net Charge 0
Average Mass 460.586
Monoisotopic Mass 460.26250
InChI InChI=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
InChIKey XZBJVIQXJHGUBE-HZMVJJPJSA-N
SMILES F[C@H]1C[C@]2([C@]3([C@@]([C@H]([C@@H](C3)C)C(=O)COC(=O)C(C)(C)C)(C[C@H](O)[C@@]2([C@@]4(C1=CC(=O)C=C4)C)[H])C)[H])[H]
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
107027 ChemSpider
D07973 KEGG DRUG
DB15777 KEGG DRUG
View more database links
Registry Number Type Source
29205-06-9 CAS Registry Number ChemIDplus