Structure database (LMSD)

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LM IDLMFA01030320
Common Name5,6-octadecadienoic acid
Systematic Name5,6-octadecadienoic acid
SynonymsC18:2n-12,13
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
AbbrevFA 18:2
LIPIDAT ID5536
PubChem CID5312471
CHEBI ID24993
PlantFA ID10081
InChIKeyYXJXBVWHSBEPDQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)
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SMILES
C(CCCC=C=CCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
329.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.87Molar
Refractivity
85.98