Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03020001
Common NameLTB4 (W)
Systematic Name5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
SynonymsLeukotriene B4; 5S,12R-diHETE
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:4;O2
LIPIDBANK IDXPR3101
PubChem CID5280492
KEGG IDC02165
HMDB IDHMDB0001085
CHEBI ID15647
SWISSLIPIDS IDSLM:000000915
CAYMAN ID10007240
InChIKeyVNYSSYRCGWBHLG-AMOLWHMGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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SMILES
C(=C/CCCCC)/C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		376.52Topological Polar
Surface Area		77.76Hydrogen
Bond Donors		3Hydrogen
Bond Acceptors		4
 logP4.73Molar
Refractivity		99.84