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ChEBI
> Main
CHEBI:47888 - prednisolone-16-carboxylic acid
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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-Δ
1
,Δ
4
-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