Structure Database (LMSD)

Common Name
6-trans-5,12,18-triHEPE
Systematic Name
5,12,18-trihydroxy-6E,8E,10E,14Z,16Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070041
Status
Active
Exact Mass
Calculate m/z
350.209325
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)
AOPOCGPBAIARAV-KLEUAVBUSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8-,12-6+,13-7+
SMILES (Click to copy)
C(CCCC(O)/C=C/C=C/C=C/C(O)C/C=C\C=C/C(O)CC)(=O)O

References

Reference
Pro-resolving actions and stereoselective biosynthesis of 18S E-series resolvins
in human leukocytes and murine inflammation.
Oh SF, Pillai PS, Recchiuti A, Yang R, Serhan CN.
J Clin Invest. 2011 Feb 1;121(2):569-81

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Pro-resolving actions and stereoselective biosynthesis of 18S E-series resolvins in human leukocytes and murine inflammation.,
J Clin Invest, 2011
Pubmed ID: 21206090

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 382.67
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.76
Molar Refractivity 101.65

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Created at
-
Updated at
14th Jun 2021