Structure Database (LMSD)
Common Name
TXA2
Systematic Name
9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid
Synonyms
- Thromboxane A2
LM ID
LMFA03030001
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of TXA2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DSNBHJFQCNUKMA-SCKDECHMSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C[C@H]1[C@H]2O[C@@H](O[C@@H]1/C=C/[C@@H](O)CCCCC)C2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus
(#9986)
Mammalia
(#40674)
Thromboxanes: a new group of biologically active compounds derived from prostaglandin endoperoxides.,
Proc Natl Acad Sci U S A, 1975
Proc Natl Acad Sci U S A, 1975
Pubmed ID:
1059088
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR2001
PubChem CID
SwissLipids ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
362.07
Topological Polar Surface Area
80.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.96
Molar Refractivity
98.22
Reactions
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Admin
Created at
-
Updated at
25th Jul 2024