Structure Database (LMSD)

Common Name
14,15-epoxy,13-HETE
Systematic Name
14,15-epoxy-13-hydroxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
Synonyms
  • 13,14-HepETE
LM ID
LMFA03060117
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Skeletonema marinoi (#267567)
Coscinodiscophyceae (#33836)
LOX-induced lipid peroxidation mechanism responsible for the detrimental effect of marine diatoms on zooplankton grazers.,
Chembiochem, 2007
Pubmed ID: 17886321

String Representations

InChiKey (Click to copy)
BWLVNHSVAJJJFW-QXGJGMMHSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h3,5-8,11-12,14,17-18,20-21H,2,4,9-10,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,11-3-,14-12-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C(O)C1OC1C/C=C\CC)(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 364.16
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.03
Molar Refractivity 98.39

Admin

Created at
19th May 2020
Updated at
19th May 2020