Structure Database (LMSD)

Common Name
15S-HpEPE
Systematic Name
15S-hydroperoxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070013
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
Sum Composition
FA 20:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
FPMFSFWYWZLDKP-XWJJKCKWSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,17-14+
SMILES (Click to copy)
C(/C/C=C\C=C\C(OO)C/C=C\CC)=C/C/C=C\CCCC(=O)O

Other Databases

CHEBI ID
165266
LIPIDBANK ID
DFA8150
PubChem CID
5283196
Cayman ID
42710

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

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Created at
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Updated at
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