CHEBI:135762 - methylprednisolone aceponate

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ChEBI Name methylprednisolone aceponate
ChEBI ID CHEBI:135762
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H36O7
Net Charge 0
Average Mass 472.572
Monoisotopic Mass 472.24610
InChI InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
InChIKey DALKLAYLIPSCQL-YPYQNWSCSA-N
SMILES C(COC(C)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C([C@H](C3)C)=CC(C=C4)=O)[H])[H])[H]
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 methylprednisolone aceponate (CHEBI:135762) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
advantan DrugCentral
Manual Xref Database
1769 DrugCentral
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Registry Number Type Source
86401-95-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017