Structure database (LMSD)

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LM IDLMFA02000350
Common Name8Z,11Z,14Z-octadecatrienoic acid
Systematic Name8Z,11Z,14Z-octadecatrienoic acid
Synonyms(8Z,11Z,14Z)-octadeca-8,11,14-trienoic acid; 18:3n-4
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
AbbrevFA 18:3
PubChem CID6433423
InChIKeyCTMZJQAVRYEWHS-YSTUJMKBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4-,8-7-,11-10-
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SMILES
C(CCC/C=C\C/C=C\C/C=C\CCC)CCC(O)=O
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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
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
86.90