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CHEBI:8380 - Prednisolone acetate

Default Structure
ChEBI IDCHEBI:8380
ChEBI NamePrednisolone acetate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKeyLRJOMUJRLNCICJ-JZYPGELDSA-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)
Prednisolone acetate (CHEBI:8380) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
hydroprednisone acetateDrugCentral
meticortelone acetateDrugCentral
meticotelone acetateDrugCentral
Prednisolone 21-acetateKEGG COMPOUND
Prednisolone acetateKEGG COMPOUND
PricortinKEGG COMPOUND
Manual XrefsDatabases
2247DrugCentral
C08180KEGG COMPOUND
D00980KEGG DRUG
Registry NumbersSources
CAS:52-21-1KEGG COMPOUND