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CHEBI:6889 - methylprednisolone acetate
| Formula | C24H32O6 |
| Net Charge | 0 |
| Average Mass | 416.514 |
| Monoisotopic Mass | 416.21989 |
| SMILES | [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1 |
| InChIKey | PLBHSZGDDKCEHR-LFYFAGGJSA-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. |
| Application: | anti-inflammatory drug A substance that reduces or suppresses inflammation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methylprednisolone acetate (CHEBI:6889) has functional parent 6α-methylprednisolone (CHEBI:6888) |
| methylprednisolone acetate (CHEBI:6889) has role anti-inflammatory drug (CHEBI:35472) |
| methylprednisolone acetate (CHEBI:6889) is a 11β-hydroxy steroid (CHEBI:35346) |
| methylprednisolone acetate (CHEBI:6889) is a 17α-hydroxy steroid (CHEBI:35342) |
| methylprednisolone acetate (CHEBI:6889) is a 20-oxo steroid (CHEBI:36885) |
| methylprednisolone acetate (CHEBI:6889) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166) |
| methylprednisolone acetate (CHEBI:6889) is a acetate ester (CHEBI:47622) |
| methylprednisolone acetate (CHEBI:6889) is a glucocorticoid (CHEBI:24261) |
| methylprednisolone acetate (CHEBI:6889) is a steroid ester (CHEBI:47880) |
| methylprednisolone acetate (CHEBI:6889) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| IUPAC Name |
|---|
| (6α,11β)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate |
| Synonyms | Source |
|---|---|
| Methylprednisolone acetate | KEGG COMPOUND |
| M-Predrol | KEGG COMPOUND |
| 6alpha-Methylprednisolone 21-acetate | KEGG COMPOUND |
| 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate | KEGG COMPOUND |
| Methylprednisolone acetate | ChemIDplus |
| 6alpha-Methylprednisolone acetate | ChemIDplus |