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> Main
CHEBI:165348 - 2,3-dinor-TXB
1
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ChEBI Name
2,3-dinor-TXB
1
ChEBI ID
CHEBI:165348
ChEBI ASCII Name
2,3-dinor-TXB1
Definition
A monocarboxylic acid that is thromboxane B
1
which is lacking two methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B
2
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
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Formula
C18H32O6
Net Charge
0
Average Mass
344.448
Monoisotopic Mass
344.21989
InChI
InChI=1S/C18H32O6/c1-
2-
3-
4-
7-
13(19)
10-
11-
16-
14(8-
5-
6-
9-
17(21)
22)
15(20)
12-
18(23)
24-
16/h10-
11,13-
16,18-
20,23H,2-
9,12H2,1H3,(H,21,22)
/b11-
10+/t13-
,14-
,15-
,16+,18?/m0/s1
InChIKey
LGWCOUWMTAQMQT-QCBHMXSDSA-N
SMILES
CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCC(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):
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3-dinor-TXB
1
(
CHEBI:165348
)
has functional parent
thromboxane B
1
(
CHEBI:73994
)
2,3-dinor-TXB
1
(
CHEBI:165348
)
has role
rat metabolite (
CHEBI:86264
)
2,3-dinor-TXB
1
(
CHEBI:165348
)
is a
monocarboxylic acid (
CHEBI:25384
)
2,3-dinor-TXB
1
(
CHEBI:165348
)
is a
secondary allylic alcohol (
CHEBI:134396
)
2,3-dinor-TXB
1
(
CHEBI:165348
)
is a
thromboxanes B (
CHEBI:26996
)
IUPAC Name
(5
R
)-
4-
(4-
carboxybutyl)-
2,4-
dideoxy-
5-
[(1
E
,3
S
)-
3-
hydroxyoct-
1-
en-
1-
yl]-
D
-
erythro
-
pentopyranose
Synonyms
Sources
2,3-dinor thromboxane B
1
ChEBI
9
S
,11,15
S
-trihydroxy-2,3-dinor-thrombox-13
E
-en-1-oic acid
LIPID MAPS
Manual Xref
Database
LMFA03030012
LIPID MAPS
View more database links
Registry Number
Type
Source
196493-76-2
CAS Registry Number
ChEBI
Citations
Types
Sources
2597664
PubMed citation
Europe PMC
33609949
PubMed citation
Europe PMC
3520685
PubMed citation
Europe PMC
7938613
PubMed citation
Europe PMC
9283716
PubMed citation
Europe PMC
Last Modified
30 August 2024