Structure database (LMSD)

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LM IDLMFA01030377
Common Name8Z,11Z-eicosadienoic acid
Systematic Name8Z,11Z-eicosadienoic acid
SynonymsC20:2n-9,12
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3456
PubChem CID5312528
HMDB IDHMDB0062432
CHEBI ID78706
SWISSLIPIDS IDSLM:000001065
InChIKeyXUJWOMMOEOHPFP-UTJQPWESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13H,2-8,11,14-19H2,1H3,(H,21,22)/b10-9-,13-12-
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SMILES
C(CCCCCC/C=C\C/C=C\CCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
364.22Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.66Molar
Refractivity
96.23