Structure database (LMSD)

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LM IDLMFA03020037
Common Name14,15-LTA4
Systematic Name14S,15S-epoxy-5Z,8Z,10E,12E-eicosatetraenoic acid
SynonymsEoxin A4; EXA4
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
PubChem CID52921883
InChIKeyURDQSJSEGRMOIT-FDMWOPBLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)2
2/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
SMILESC(/C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCCC)=C/CCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
355.37Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.78Molar
Refractivity
96.49