LIPID MAPS

Structure Database (LMSD)

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Common Name

6Z,8E,10E,12Z-octadecatetraenoic acid

Systematic Name

(6Z,8E,10E,12Z)-octadeca-(6,8,10,12)-tetraenoic acid

Synonyms

LM ID

LMFA02000353

Formula

C₁₈H₂₈O₂

Exact Mass

Calculate m/z

276.20893

Sum Composition

FA 18:4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Anadyomene stellata (#204408)

Ulvophyceae (#33103)

Structure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata.,
Lipids, 1995

Pubmed ID: 7564911

String Representations

InChiKey (Click to copy)

RFUWLZKZDWRDDA-MNQUYVSVSA-N

InChi (Click to copy)

InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-13H,2-5,14-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+,13-12-

SMILES (Click to copy)

C(/C=C\C=C\C=C\C=C/CCCCC)CCCC(=O)O

Other Databases

PubChem CID

6439481

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 0

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 324.34

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.44

Molar Refractivity 86.81

Admin

Created at

25th Jun 2019

Updated at