Structure database (LMSD)

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LM IDLMFA03020002
Common NameLTE4 (W)
Systematic Name5S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
SynonymsLeukotriene E4
Exact Mass
439.2392 (neutral)    Calculate m/z:
FormulaC23H37NO5S
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Amino fatty acids[FA0110]
LIPIDBANK IDXPR3401
PubChem CID5280879
KEGG IDC05952
HMDB IDHMDB0002200
CHEBI ID15650
SWISSLIPIDS IDSLM:000501337
InChIKeyOTZRAYGBFWZKMX-FRFVZSDQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20
(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27
)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
SMILESC(O)(=O)[C@@H](N)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
464.08Topological Polar
Surface Area
120.85Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP5.46Molar
Refractivity
126.70