Structure database (LMSD)

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LM IDLMFA02000028
Common Name13-keto-9Z,11E,15Z-octadecatrienoic acid
Systematic Name13-keto-9Z,11E,15Z-octadecatrienoic acid
Synonyms-
Exact Mass
292.2038 (neutral)    Calculate m/z:
FormulaC18H28O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106]
PubChem CID11426350
InChIKeyBNMYUQILBYIYOG-JDTPQGGVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,
11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
SMILESC(CCCCCCC/C=C\C=C\C(=O)C/C=C\CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
333.13Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.84Molar
Refractivity
87.29