Structure Database (LMSD)

Common Name
18R-HpEPE
Systematic Name
18R-hydroperoxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070043
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Resolvins and protectins in inflammation resolution.,
Chem Rev, 2011
Pubmed ID: 21766791

String Representations

InChiKey (Click to copy)
ZNUBMQUXCKZUTC-UAAZXLHOSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-19(24-23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,10-13,15,17,19,23H,2-3,8-9,14,16,18H2,1H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](OO)CC)(=O)O

Other Databases

CHEBI ID
138565
PubChem CID
53477461

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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Updated at
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