CHEBI:50865 - cortisol 17-valerate

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ChEBI Name cortisol 17-valerate
ChEBI ID CHEBI:50865
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H38O6
Net Charge 0
Average Mass 446.57632
Monoisotopic Mass 446.26684
InChI InChI=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
InChIKey FZCHYNWYXKICIO-FZNHGJLXSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCC)C(=O)CO
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 )
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ChEBI Ontology
Outgoing 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 Sources
Hydrocortisone 17-valerate ChemIDplus
Hydrocortisone valerate ChemIDplus
Manual Xrefs Databases
4504 DrugCentral
DB00741 DrugBank
View more database links
Registry Numbers Types Sources
5165087 Beilstein Registry Number Beilstein
57524-89-7 CAS Registry Number ChemIDplus
Last Modified
06 February 2018