Structure database (LMSD)

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LM IDLMFA03020018
Common Name20-hydroxy LTB4
Systematic Name5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms20-hydroxy Leukotriene B4
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR3120
PubChem CID5280745
KEGG IDC04853
HMDB IDHMDB0001509
CHEBI ID15646
SWISSLIPIDS IDSLM:000390029
CAYMAN ID20190
InChIKeyPTJFJXLGRSTECQ-PSPARDEHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(2
4)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,
14-9-/t18-,19-/m1/s1
SMILESC([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCCO
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
385.31Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.99Molar
Refractivity
101.75