Structure database (LMSD)

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LM IDLMFA03020010
Common NameLTB5
Systematic Name5S,12S-dihydroxy-6Z,8E,14Z,17Z-eicosapentanenoic acid
SynonymsLeukotriene B5
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR4102
PubChem CID5283125
HMDB IDHMDB0005073
CAYMAN ID21110
InChIKeyBISQPGCQOHLHQK-HDNPQISLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)2
4/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,1
4-10+,15-11-/t18-,19-/m1/s1
SMILESC(/C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O)=C/C/C=C\CC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
373.88Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.51Molar
Refractivity
99.75