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ChEBI
> Main
CHEBI:139043 - carbocyclic thromboxane A
2
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ChEBI Name
carbocyclic thromboxane A
2
ChEBI ID
CHEBI:139043
ChEBI ASCII Name
carbocyclic thromboxane A2
Definition
A member of the class of thromboxanes that is thromboxane A
2
in which the bridging oxygen has been replaced by a methylene group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H34O4
Net Charge
0
Average Mass
350.493
Monoisotopic Mass
350.24571
InChI
InChI=1S/C21H34O4/c1-
2-
3-
6-
9-
17(22)
12-
13-
20-
19(16-
14-
18(15-
16)
25-
20)
10-
7-
4-
5-
8-
11-
21(23)
24/h4,7,12-
13,16-
20,22H,2-
3,5-
6,8-
11,14-
15H2,1H3,(H,23,24)
/b7-
4-
,13-
12+/t16-
,17-
,18+,19-
,20+/m0/s1
InChIKey
VQUUFWNZZIMDBR-SXNJQZKASA-N
SMILES
C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
thromboxane A2 agonist
An agonist that binds to and activates thromboxane A
2
receptors.
Application
(s):
vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
carbocyclic thromboxane A
2
(
CHEBI:139043
)
has functional parent
thromboxane A
2
(
CHEBI:15627
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
has role
thromboxane A
2
agonist (
CHEBI:139044
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
has role
vasoconstrictor agent (
CHEBI:50514
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is a
bridged compound (
CHEBI:35990
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is a
cyclic ether (
CHEBI:37407
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is a
secondary allylic alcohol (
CHEBI:134396
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is a
thromboxane (
CHEBI:26995
)
carbocyclic thromboxane A
2
(
CHEBI:139043
)
is conjugate acid of
carbocyclic thromboxane A
2
(1−) (
CHEBI:138322
)
Incoming
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
has functional parent
carbocyclic thromboxane A
2
(
CHEBI:139043
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
has functional parent
carbocyclic thromboxane A
2
(
CHEBI:139043
)
carbocyclic thromboxane A
2
(1−) (
CHEBI:138322
)
is conjugate base of
carbocyclic thromboxane A
2
(
CHEBI:139043
)
IUPAC Name
(5
Z
)-
7-
{(1
R
,3
R
,4
S
,5
R
)-
3-
[(1
E
,3
S
)-
3-
hydroxyoct-
1-
en-
1-
yl]-
2-
oxabicyclo[3.1.1]heptan-
4-
yl}hept-
5-
enoic acid
Synonyms
Sources
9α,11α-methylene thromboxane A
2
ChEBI
9α,11α-methylene-TXA
2
ChEBI
carbocyclic TXA
2
ChEBI
Citations
Types
Sources
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Last Modified
15 November 2017