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> Main
CHEBI:139046 - 18-hydroxycarbocyclic thromboxane A
2
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ChEBI Name
18-hydroxycarbocyclic thromboxane A
2
ChEBI ID
CHEBI:139046
ChEBI ASCII Name
18-hydroxycarbocyclic thromboxane A2
Definition
A member of the class of thromboxanes that is carbocyclic thromboxane A
2
carrying an additional hydroxy substituent at position 18.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H34O5
Net Charge
0
Average Mass
366.492
Monoisotopic Mass
366.24062
InChI
InChI=1S/C21H34O5/c1-
2-
16(22)
9-
10-
17(23)
11-
12-
20-
19(15-
13-
18(14-
15)
26-
20)
7-
5-
3-
4-
6-
8-
21(24)
25/h3,5,11-
12,15-
20,22-
23H,2,4,6-
10,13-
14H2,1H3,(H,24,25)
/b5-
3-
,12-
11+/t15-
,16?,17-
,18+,19-
,20+/m0/s1
InChIKey
GQTKTVLOOUFFTJ-QLKVQSEBSA-N
SMILES
C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCC(CC)O)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
has functional parent
carbocyclic thromboxane A
2
(
CHEBI:139043
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
bridged compound (
CHEBI:35990
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
cyclic ether (
CHEBI:37407
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
diol (
CHEBI:23824
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
secondary allylic alcohol (
CHEBI:134396
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is a
thromboxane (
CHEBI:26995
)
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
is conjugate acid of
18-hydroxycarbocyclic thromboxane A
2
(1−) (
CHEBI:138324
)
Incoming
18-hydroxycarbocyclic thromboxane A
2
(1−) (
CHEBI:138324
)
is conjugate base of
18-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139046
)
IUPAC Name
(5
Z
)-
7-
{(1
R
,3
R
,4
S
,5
R
)-
3-
[(1
E
,3
S
)-
3,6-
dihydroxyoct-
1-
en-
1-
yl]-
2-
oxabicyclo[3.1.1]heptan-
4-
yl}hept-
5-
enoic acid
Synonyms
Sources
18-hydroxy-(9α,11α)-methylene thromboxane A
2
ChEBI
18-hydroxy-(9α,11α)-methylene TXA
2
ChEBI
18-hydroxy-9α,11α-methylene thromboxane A
2
ChEBI
18-hydroxy-9α,11α-methylene-TXA
2
ChEBI
18-hydroxycarbocyclic TXA
2
ChEBI
Last Modified
15 November 2017