CHEBI:177775 - Dexamethasone Tebutate

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ChEBI Name Dexamethasone Tebutate
ChEBI ID CHEBI:177775
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39FO6
Net Charge 0
Average Mass 490.612
Monoisotopic Mass 490.27307
InChI InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1
InChIKey PQVDYPCHUGFHAR-PKWREOPISA-N
SMILES F[C@@]12[C@]([C@]3([C@@]([C@](O)([C@@H](C3)C)C(=O)COC(=O)CC(C)(C)C)(C[C@@H]1O)C)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[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 )
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ChEBI Ontology
Outgoing Dexamethasone Tebutate (CHEBI:177775) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-luoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
Manual Xrefs Databases
16736122 ChemSpider
D07799 KEGG DRUG
View more database links
Registry Number Type Source
24668-75-5 CAS Registry Number ChemIDplus