Structure database (LMSD)

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LM IDLMFA01030142
Common Name6,10,14-octadecatrienoic acid
Systematic Name6,10,14-octadecatrienoic acid
SynonymsC18:3n-4,8,12
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
AbbrevFA 18:3
LIPIDBANK IDDFA0181
PubChem CID5282816
InChIKeyQWIGRJKFODXCPT-UJIFBZJGSA-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/h4-5,8-9,12-13H,2-3,6-7,10-11,14-17H2,1H3,(H,19,20)/b5-4+,9-8+,13-12+
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SMILES
C(=C/CC/C=C/CCC)\CC/C=C/CCCCC(=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