Structure database (LMSD)

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LM IDLMFA03020022
Common Name11-trans-LTE4
Systematic Name5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11E14Z-eicosatetraenoic acid
Synonyms11-trans-Leukotriene 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 IDXPR3402
PubChem CID5283136
HMDB IDHMDB0062286
InChIKeyOTZRAYGBFWZKMX-DVFCZEDWSA-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(/C/C=C\CCCCC)=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(O)=O
MS StandardView lipid standard
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