EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180554 - [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate

ChEBI IDCHEBI:180554
ChEBI Name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H43FO7
Net Charge0
Average Mass570.698
Monoisotopic Mass570.29928
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)C3CC3)(C(=O)COC(=O)C3CCCCC3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1
InChIKeyJPTKVJWWVFLEJL-GVPGRCOTSA-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)
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate (CHEBI:180554) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(cyclopropanecarbonyloxy)-9-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclohexanecarboxylate
Manual XrefsDatabases
D07073KEGG DRUG
30791773ChemSpider
Registry NumbersSources
CAS:132245-57-9ChemIDplus