Structure database (LMSD)

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LM IDLMFA03000018
Common Name8Z,11Z,14Z,17Z-octadecatetraenoic acid
Systematic Name8Z,11Z,14Z,17Z-octadecatetraenoic acid
Synonyms(8Z,11Z,14Z)-octadeca-8,11,14,17-tetraenoic acid; 18:4n-1
Exact Mass
276.2089 (neutral)    Calculate m/z:
FormulaC18H28O2
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Eicosanoids [FA0300]
PubChem CID-
InChIKeyMYJWKIHFIMVYGF-YSTUJMKBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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-
SMILESC(C/C=C\C/C=C\C/C=C\CC=C)CCCCC(O)=O
StatusActive
ReferencesPolyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria. Jun Ogawa, Eiji Sakuradani, Shigenobu Kishino, Akinori Ando, Kenzo Yokozeki and Sakayu Shimizu. European Journal of Lipid Science and Technology. Special Issue: Euro Fed Lipid Highlights. Volume 114, Issue 10. , October 2012, pp. 1107-1113.

https://onlinelibrary.wiley.com/doi/full/10.1002/ejlt.201200069
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
324.34Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.44Molar
Refractivity
86.81