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
Status
Active
Exact Mass
Calculate m/z
350.209325
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

LIPIDBANK ID
PubChem CID

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
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