Structure database (LMSD)

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LM IDLMFA10000003
Common NameEtherolenic acid
Systematic Name12-(1'E,3'Z-Hexadienyloxy)-9Z,11E-dodecadienoic acid
Synonyms-
Exact Mass
292.2038 (neutral)    Calculate m/z:
FormulaC18H28O3
CategoryFatty Acyls [FA]
Main ClassFatty ethers [FA10]
Sub Class-
PubChem CID23724709
KEGG IDC16319
CHEBI ID80443
InChIKeyQWRJRLCIDLDGLM-GTTHPXIQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+
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SMILES
C(CCCCCCC/C=C\C=C\O/C=C/C=C\CC)(=O)O
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StatusActive
ReferencesHamberg, M. (1998) A pathway for biosynthesis of divinyl ether
fatty acids in green leaves. Lipids, 33, 1061-1071.
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
333.13Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.37Molar
Refractivity
87.89