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CHEBI:135823 - prednisolone sulfobenzoate

ChEBI IDCHEBI:135823
ChEBI Nameprednisolone sulfobenzoate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H32O9S
Net Charge0
Average Mass544.622
Monoisotopic Mass544.17670
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)c3cccc(S(=O)(=O)O)c3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1
InChIKeyWVKSUFYQOHQCMM-YGZHYJPASA-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 sulfobenzoate (CHEBI:135823) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
prednisolone sodium metasulfobenzoateDrugCentral
prednisolone metazoateDrugCentral
prednisolone metasulfobenzoateDrugCentral
prednisolone sodium metazoateDrugCentral
prednisolone metasulfobenzoate sodiumDrugCentral
Manual XrefsDatabases
2250DrugCentral
Registry NumbersSources
CAS:630-67-1DrugCentral