Structure database (LMSD)

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LM IDLMFA03020025
Common Name20-hydroxy-LTE4
Systematic Name5S,20-dihydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms20-hydroxy-Leukotriene E4
Exact Mass
455.2342 (neutral)    Calculate m/z:
FormulaC23H37NO6S
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Amino fatty acids[FA0110]
PubChem CID5280606
KEGG IDC03577
HMDB IDHMDB0012639
CHEBI ID28700
InChIKeyBJRMBXPQAMDCMG-CMJQBAFXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5
-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(
H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
SMILESC(/C/C=C\CCCCCO)=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
472.87Topological Polar
Surface Area
141.08Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP4.71Molar
Refractivity
128.60