Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:139045 - 19-hydroxycarbocyclic thromboxane A
2
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
19-hydroxycarbocyclic thromboxane A
2
ChEBI ID
CHEBI:139045
ChEBI ASCII Name
19-hydroxycarbocyclic thromboxane A2
Definition
A member of the class of thromboxanes that is carbocyclic thromboxane A
2
carrying an additional hydroxy substituent at position 19.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C21H34O5
Net Charge
0
Average Mass
366.492
Monoisotopic Mass
366.24062
InChI
InChI=1S/C21H34O5/c1-
15(22)
7-
6-
8-
17(23)
11-
12-
20-
19(16-
13-
18(14-
16)
26-
20)
9-
4-
2-
3-
5-
10-
21(24)
25/h2,4,11-
12,15-
20,22-
23H,3,5-
10,13-
14H2,1H3,(H,24,25)
/b4-
2-
,12-
11+/t15?,16-
,17-
,18+,19-
,20+/m0/s1
InChIKey
RWKLFZNKJPQWRW-RBHGNWNXSA-N
SMILES
C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCC(C)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
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
has functional parent
carbocyclic thromboxane A
2
(
CHEBI:139043
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
bridged compound (
CHEBI:35990
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
cyclic ether (
CHEBI:37407
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
diol (
CHEBI:23824
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
secondary allylic alcohol (
CHEBI:134396
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is a
thromboxane (
CHEBI:26995
)
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
is conjugate acid of
19-hydroxycarbocyclic thromboxane A
2
(1−) (
CHEBI:138323
)
Incoming
19-hydroxycarbocyclic thromboxane A
2
(1−) (
CHEBI:138323
)
is conjugate base of
19-hydroxycarbocyclic thromboxane A
2
(
CHEBI:139045
)
IUPAC Name
(5
Z
)-
7-
{(1
R
,3
R
,4
S
,5
R
)-
3-
[(1
E
,3
S
)-
3,7-
dihydroxyoct-
1-
en-
1-
yl]-
2-
oxabicyclo[3.1.1]heptan-
4-
yl}hept-
5-
enoic acid
Synonyms
Sources
19-hydroxy-(9α,11α)-methylene thromboxane A
2
ChEBI
19-hydroxy-(9α,11α)-methylene-TXA
2
ChEBI
19-hydroxycarbocyclic TXA
2
ChEBI
Citation
Type
Source
15789615
PubMed citation
Europe PMC
Last Modified
14 November 2017