Structure Database (LMSD)

OH O OH O O
Common Name
TXA2
Systematic Name
9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid
Synonyms
  • Thromboxane A2
LM ID
LMFA03030001
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Thromboxanes [FA0303]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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
Pubmed ID: 1059088

Other Databases

Wikipedia
TXA2
KEGG ID
C02198
HMDB ID
HMDB0001452
CHEBI ID
15627
LIPIDBANK ID
XPR2001
PubChem CID
5280497
SwissLipids ID
SLM:000390041
GuidePharm ID
4482

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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Reactions graph legend

Admin

Created at
-
Updated at
25th Jul 2024