Structure Database (LMSD)

Common Name
6-epi-LTA4
Systematic Name
5S,6R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 6-epi-Leukotriene A4
LM ID
LMFA03020039
Status
Active
Exact Mass
Calculate m/z
318.219495
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)
UFPQIRYSPUYQHK-NSEFZGNTSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C/C=C/C=C/[C@H]1O[C@H]1CCCC(=O)O

References

Reference
Biosynthesis, isolation, and NMR analysis of leukotriene A epoxides:
substrate chirality as a determinant of the cis or trans epoxide configuration
Jing Jin,Yuxiang Zheng,William E. Boeglin,and Alan R. Brash
J. Lipid Res. 2013 54:(3) 754-761.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana (#3702)
Magnoliopsida (#3398)
Biosynthesis, isolation, and NMR analysis of leukotriene A epoxides: substrate chirality as a determinant of the cis or trans epoxide configuration.,
J Lipid Res, 2013
Pubmed ID: 23242647

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 355.37
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.78
Molar Refractivity 96.49

Admin

Created at
-
Updated at
28th May 2021