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ChEBI
> Main
CHEBI:142127 - nitroproston
Main
ChEBI Ontology
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ChEBI Name
nitroproston
ChEBI ID
CHEBI:142127
Definition
A nitro compound obtained by the formal condensation of prostaglandin E
2
with 1,3-dinitroglycerol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Formula
C23H36N2O11
Net Charge
0
Average Mass
516.540
Monoisotopic Mass
516.23191
InChI
InChI=1S/C23H36N2O11/c1-
2-
3-
6-
9-
17(26)
12-
13-
20-
19(21(27)
14-
22(20)
28)
10-
7-
4-
5-
8-
11-
23(29)
36-
18(15-
34-
24(30)
31)
16-
35-
25(32)
33/h4,7,12-
13,17-
20,22,26,28H,2-
3,5-
6,8-
11,14-
16H2,1H3/b7-
4-
,13-
12+/t17-
,19+,20+,22+/m0/s1
InChIKey
SGMBTYBNUOWYOV-CXZSOYKBSA-N
SMILES
[C@@H]1(C(C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)O)=O)C/C=C\CCCC(OC(CO[N+]([O-])=O)CO[N+](=O)[O-])=O
Roles Classification
Application
(s):
anti-asthmatic drug
A drug used to treat asthma.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nitroproston (
CHEBI:142127
)
has functional parent
1,3-dinitroglycerol (
CHEBI:18921
)
nitroproston (
CHEBI:142127
)
has functional parent
prostaglandin E
2
(
CHEBI:15551
)
nitroproston (
CHEBI:142127
)
has role
anti-asthmatic drug (
CHEBI:49167
)
nitroproston (
CHEBI:142127
)
has role
bronchodilator agent (
CHEBI:35523
)
nitroproston (
CHEBI:142127
)
is a
carboxylic ester (
CHEBI:33308
)
nitroproston (
CHEBI:142127
)
is a
nitro compound (
CHEBI:35715
)
nitroproston (
CHEBI:142127
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
1,3-
bis(nitrooxy)propan-
2-
yl (5
Z
,11α,13
E
,15
S
)-
11,15-
dihydroxy-
9-
oxoprosta-
5,13-
dien-
1-
oate
Synonyms
Sources
nitroproston
ChEBI
prostaglandin E
2
1,3-bis(nitrooxy)prop-2-yl ester
ChEBI
Manual Xref
Database
US2015141505
Patent
View more database links
Registry Number
Type
Source
19341527
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19537176
PubMed citation
Europe PMC
29521215
PubMed citation
Europe PMC
Last Modified
14 September 2018