Structure database (LMSD)

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LM IDLMFA02000319
Common Name3Z,6Z,9Z-Octadecatrienoic acid
Systematic Name3Z,6Z,9Z-Octadecatrienoic acid
Synonyms3,6,9-Octadecatrienoic acid, (3Z,6Z,9Z)-; 3,6,9-Octadecatrienoic acid, (Z,Z,Z)-
; Z,Z,Z-3,6,9-Octadecatrienoic acid; Octadeca-3c,6c,9c-trienoic acid
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 18:3
PubChem CID15737439
PlantFA ID10528
InChIKeyNTKHCYPTISBJFG-YOILPLPUSA-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/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3,(H,19,20)/b10-9-,13-12-,16-15-
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SMILES
C(C/C=C\C/C=C\C/C=C\CCCCCCCC)(=O)O
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StatusActive
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