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ChEBI
> Main
CHEBI:156557 - beraprost(1−)
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ChEBI Name
beraprost(1−)
ChEBI ID
CHEBI:156557
ChEBI ASCII Name
beraprost(1-)
Definition
A monocarboxylic acid anion that is conjugate base of beraprost, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H29O5
Net Charge
-1
Average Mass
397.492
Monoisotopic Mass
397.20205
InChI
InChI=1S/C24H30O5/c1-
3-
4-
7-
15(2)
19(25)
13-
12-
17-
20(26)
14-
21-
23(17)
18-
10-
5-
8-
16(24(18)
29-
21)
9-
6-
11-
22(27)
28/h5,8,10,12-
13,15,17,19-
21,23,25-
26H,6-
7,9,11,14H2,1-
2H3,(H,27,28)
/p-
1/b13-
12+/t15?,17-
,19+,20+,21-
,23-
/m0/s1
InChIKey
CTPOHARTNNSRSR-APJZLKAGSA-M
SMILES
[H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1
ChEBI Ontology
Outgoing
beraprost(1−) (
CHEBI:156557
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
beraprost(1−) (
CHEBI:156557
)
is conjugate base of
beraprost (
CHEBI:135633
)
Incoming
beraprost sodium (
CHEBI:31270
)
has part
beraprost(1−) (
CHEBI:156557
)
beraprost (
CHEBI:135633
)
is conjugate acid of
beraprost(1−) (
CHEBI:156557
)
IUPAC Name
4-
{(1
R
,2
R
,3a
S
,8b
S
)-
2-
hydroxy-
1-
[(1
E
,3
S
)-
3-
hydroxy-
4-
methyloct-
1-
en-
6-
yn-
1-
yl]-
2,3,3a,8b-
tetrahydro-
1
H
-
benzo[
b
]cyclopenta[
d
]furan-
5-
yl}butanoate
Synonym
Source
beraprost anion
ChEBI
Last Modified
29 September 2020