Structure database (LMSD)

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LM IDLMFA10000002
Common NameColnelenic acid
Systematic Name9-[1'E,3'Z,6'Z-trien-1'-yloxy]-non-8E-enoic acid
Synonyms-
Exact Mass
292.2038 (neutral)    Calculate m/z:
FormulaC18H28O3
CategoryFatty Acyls [FA]
Main ClassFatty ethers [FA10]
Sub Class-
PubChem CID6441679
KEGG IDC16320
HMDB IDHMDB0030996
CHEBI ID60959
InChIKeyOYKAXBUWOIRLGF-VMBRNALUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+
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SMILES
OC(=O)CCCCCC/C=C/O/C=C/C=C\C/C=C\CC
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StatusActive
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