Structure Database (LMSD)

Common Name
TXA3
Systematic Name
9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E,17Z-trien-1-oic acid
Synonyms
  • Thromboxane A3
LM ID
LMFA03030005
Formula
C20H30O5
Exact Mass
Calculate m/z
350.209325
Sum Composition
FA 20:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Triene prostaglandins: prostacyclin and thromboxane biosynthesis and unique biological properties.,
Proc Natl Acad Sci U S A, 1979
Pubmed ID: 218223

String Representations

InChiKey (Click to copy)
NMZKLLJQNNTBRJ-OIXZZONUSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
SMILES (Click to copy)
C([C@H]1[C@H]2O[C@@H](O[C@@H]1/C=C/[C@@H](O)C/C=C\CC)C2)/C=C\CCCC(=O)O

Other Databases

CHEBI ID
165349
LIPIDBANK ID
XPR2002
PubChem CID
5283139

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 359.43
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.74
Molar Refractivity 98.13

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Created at
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Updated at
19th Jun 2024