Structure database (LMSD)

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LM IDLMFA03020034
Common Name4,5-LTA4
Systematic Name4R,5R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms4,5-Leukotriene A4
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 CID5280534
KEGG IDC02645
CHEBI ID28367
InChIKeyANXVUHHMAOYZPG-BOCYDZBOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)2
2/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19
-/m1/s1
SMILESC(/C=C\CCCCC)/C=C\C=C\C=C\C[C@H]1O[C@@H]1CCC(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