Structure Database (LMSD)
Common Name
5R-HpEPE
Systematic Name
5R-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070059
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Active
3D model of 5R-HpEPE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NKXYOIJDQPQELO-CBVHGRPESA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
SMILES (Click to copy)
C(CCC[C@@H](OO)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
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
Chembiochem, 2007
Pubmed ID:
17886321
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
373.88
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.92
Molar Refractivity
99.21
Admin
Created at
19th May 2020
Updated at
19th May 2020