Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03020043
Common Name10,11-dihydro-20-dihydroxy-LTB4
Systematic Name(5R,6Z,8E,12R,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid
Synonyms-
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID53481447
HMDB IDHMDB0012502
InChIKeyBZDHSIPNZCHPKA-NSBXBVANSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O6/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/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/b5-4+,6-2-,13-8-/t
17-,18-/m0/s1
SMILESOC(CCCC/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
396.74Topological Polar
Surface Area
118.22Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP3.53Molar
Refractivity
103.00