LIPID MAPS

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

C₂₀H₃₀O₅

Abbrev

FA 20:5;O3

Show lipids differing only in stereochemistry/bond geometry

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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

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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