LIPID MAPS

Structure Database (LMSD)

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Common Name

14-HEPE

Systematic Name

14-hydroxy-5Z,8Z,11Z,15E,17Z-eicosapentaenoic acid

Synonyms

LM ID

LMFA03070055

Formula

C₂₀H₃₀O₃

Exact Mass

Calculate m/z

318.219495

Sum Composition

FA 20:5;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Chaetoceros affinis (#426623)

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)

QMOSHXZFUNVXRH-JGGDOZJASA-N

InChi (Click to copy)

InChI=1S/C20H30O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-5,7-8,10-11,13-14,16,19,21H,2,6,9,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-5-,10-8-,14-11-,16-13+

SMILES (Click to copy)

C(CCC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\CC)(=O)O

Other Databases

PubChem CID

101718205

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 0

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 365.09

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 5.25

Molar Refractivity 97.85

Admin

Created at

19th May 2020

Updated at