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
Formula
Exact Mass
Calculate m/z
318.219495
Sum Composition
Status
Active

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

Other Databases

CHEBI ID
PubChem CID

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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Created at
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Updated at
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