Structure Database (LMSD)

Common Name
12-oxo-10,11-dihydro-20-COOH-LTB4
Systematic Name
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
Synonyms
LM ID
LMFA03020046
Status
Active
Exact Mass
Calculate m/z
366.20424
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)
RYMSXFPLTLWXCK-VJNSNPJLSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1
SMILES (Click to copy)
O[C@@H](/C=C\C=C\CCC(C/C=C\CCCCC(=O)O)=O)CCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 391.46
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.94
Molar Refractivity 100.39

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Created at
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Updated at
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