Structure database (LMSD)

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LM IDLMFA03020048
Common Name12-oxo-20-dihydroxy-leukotriene B4
Systematic Name(5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Synonyms-
Exact Mass
366.2042 (neutral)    Calculate m/z:
FormulaC20H30O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
PubChem CID53481458
HMDB IDHMDB0012551
InChIKeySBSLZLBZGOASJL-NZXMSVEXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-2
0(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13
-8-/t18-/m0/s1
SMILESOC(CCCC/C=C\CC(/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
391.46Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.23Molar
Refractivity
101.40