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CHEBI:50865 - cortisol 17-valerate

ChEBI IDCHEBI:50865
ChEBI Namecortisol 17-valerate
Stars
Last Modified6 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38O6
Net Charge0
Average Mass446.584
Monoisotopic Mass446.26684
SMILES[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
InChIKeyFZCHYNWYXKICIO-FZNHGJLXSA-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)
cortisol 17-valerate (CHEBI:50865) is a cortisol ester (CHEBI:23396)
cortisol 17-valerate (CHEBI:50865) is a glucocorticoid (CHEBI:24261)
cortisol 17-valerate (CHEBI:50865) is a primary α-hydroxy ketone (CHEBI:139590)
cortisol 17-valerate (CHEBI:50865) is a valerate ester (CHEBI:50871)
IUPAC Name 
11β,21-dihydroxy-3,20-dioxopregn-4-en-17-yl pentanoate
Synonyms  Source
Hydrocortisone valerateChemIDplus
Hydrocortisone 17-valerateChemIDplus
Manual XrefsDatabases
DB00741DrugBank
4504DrugCentral
Registry NumbersSources
Beilstein:5165087Beilstein
CAS:57524-89-7ChemIDplus