Structure database (LMSD)

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LM IDLMFA01030138
Common Name7,10,13-hexadecatrienoic acid
Systematic Name7Z,10Z,13Z-hexadecatrienoic acid
SynonymsC16:3n-3,6,9
Exact Mass
250.1933 (neutral)    Calculate m/z:
FormulaC16H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0177
PubChem CID5312428
PlantFA ID10414
InChIKeyKBGYPXOSNDMZRV-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2
,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
SMILESC(CCCCC/C=C\C/C=C\C/C=C\CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
292.38Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.88Molar
Refractivity
77.67