Structure Database (LMSD)

Common Name
10,11-dihydro-20-trihydroxy-leukotriene B4
Systematic Name
(5R,6Z,8E,12R,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
Synonyms
LM ID
LMFA03020044
Status
Active
Exact Mass
Calculate m/z
386.230455
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LSVHZFZMMXHHBS-MNBASXMYSA-N
InChi (Click to copy)
InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1
SMILES (Click to copy)
O([H])[C@@]([H])(C([H])([H])/C(/[H])=C(/[H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(O[H])O[H])C([H])([H])C([H])([H])/C(/[H])=C(\[H])/C(/[H])=C(/[H])\[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])O[H]

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 405.53
Topological Polar Surface Area 138.45
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
logP 2.85
Molar Refractivity 104.16

Admin

Created at
-
Updated at
-