Structure Database (LMSD)

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

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]

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
25th Jun 2019