LIPID MAPS

Structure Database (LMSD)

Common Name

14,15-LTA4

Systematic Name

14S,15S-epoxy-5Z,8Z,10E,12E-eicosatetraenoic acid

Synonyms

Eoxin A4
EXA4

LM ID

LMFA03020037

Status

Active

Exact Mass

Calculate m/z

318.219495

Formula

C₂₀H₃₀O₃

Abbrev

FA 20:5;O

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)

URDQSJSEGRMOIT-FDMWOPBLSA-N

InChi (Click to copy)

InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-10,13,16,18-19H,2-3,5,11-12,14-15,17H2,1H3,(H,21,22)/b6-4-,9-7-,10-8+,16-13+/t18-,19-/m0/s1

SMILES (Click to copy)

C(/C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCCC)=C/CCCC(O)=O

References

Other Databases

CHEBI ID

63983

PubChem CID

52921883

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 355.37

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.78

Molar Refractivity 96.49

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