CHEBI:47888 - prednisolone-16-carboxylic acid

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ChEBI Name prednisolone-16-carboxylic acid
ChEBI ID CHEBI:47888
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.45352
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-20-6-5-12(24)7-11(20)3-4-13-14-8-15(19(27)28)22(29,17(26)10-23)21(14,2)9-16(25)18(13)20/h5-7,13-16,18,23,25,29H,3-4,8-10H2,1-2H3,(H,27,28)/t13-,14-,15?,16-,18+,20-,21-,22-/m0/s1
InChIKey KDXQRWCHLWOYTA-PYQKVRMJSA-N
SMILES [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC(C(O)=O)[C@]1(O)C(=O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prednisolone-16-carboxylic acid (CHEBI:47888) has functional parent prednisolone (CHEBI:8378)
prednisolone-16-carboxylic acid (CHEBI:47888) is a 11β-hydroxy steroid (CHEBI:35346)
prednisolone-16-carboxylic acid (CHEBI:47888) is a 17α-hydroxy steroid (CHEBI:35342)
prednisolone-16-carboxylic acid (CHEBI:47888) is a 20-oxo steroid (CHEBI:36885)
prednisolone-16-carboxylic acid (CHEBI:47888) is a 21-hydroxy steroid (CHEBI:35344)
prednisolone-16-carboxylic acid (CHEBI:47888) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
prednisolone-16-carboxylic acid (CHEBI:47888) is a monocarboxylic acid (CHEBI:25384)
prednisolone-16-carboxylic acid (CHEBI:47888) is a primary α-hydroxy ketone (CHEBI:139590)
prednisolone-16-carboxylic acid (CHEBI:47888) is a steroid acid (CHEBI:47891)
prednisolone-16-carboxylic acid (CHEBI:47888) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming methyl prednisolone-16-carboxylate (CHEBI:47886) has functional parent prednisolone-16-carboxylic acid (CHEBI:47888)
prednisolone-16α-carboxylic acid (CHEBI:47889) is a prednisolone-16-carboxylic acid (CHEBI:47888)
IUPAC Name
11β,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylic acid
Synonym Source
(11β)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylic acid ChEBI
Last Modified
07 February 2018