Structure database (LMSD)

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LM IDLMFA10000001
Common NameColneleic acid
Systematic Name9-[1'E,3'Z-dien-1'-yloxy]-non-8E-enoic acid
Synonyms-
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassFatty ethers [FA10]
Sub Class-
PubChem Compound ID (CID)6441681
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyHHZKKFXQEIBVEV-CXXUKANQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,1
3-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+
SMILESCCCCC/C=C\C=C\O/C=C/CCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
335.77Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.59Molar
Refractivity
87.98    
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