Structure Database (LMSD)

Common Name
8Z,11Z,14Z,17Z-octadecatetraenoic acid
Systematic Name
8Z,11Z,14Z,17Z-octadecatetraenoic acid
Synonyms
  • (8Z,11Z,14Z)-octadeca-8,11,14,17-tetraenoic acid
  • 18:4n-1
LM ID
LMFA03000018
Status
Active
Exact Mass
Calculate m/z
276.20893
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MYJWKIHFIMVYGF-YSTUJMKBSA-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/h2,4-5,7-8,10-11H,1,3,6,9,12-17H2,(H,19,20)/b5-4-,8-7-,11-10-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\CC=C)CCCCC(O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
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

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Created at
20th Jun 2019
Updated at
20th Jun 2019