Structure database (LMSD)

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LM IDLMFA07070011
Common Name(11Z,14Z)-eicosadienoylcarnitine
Systematic Name3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms(11Z,14Z)-icosadienoylcarnitine;11-cis,14-cis-eicosadienoylcarnitine;11-cis,14-
cis-icosadienoylcarnitine;3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-
(trimethylammonio)butanoate
Exact Mass
451.3662 (neutral)    Calculate m/z:
FormulaC27H49NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevCAR 20:2
PubChem CID71464509
CHEBI ID73119
InChIKeyOLZWDVKTOGTVLC-UTJQPWESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,25H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-
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SMILES
C(C([O-])=O)C(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)C[N+](C)(C)C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
511.26Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP5.91Molar
Refractivity
132.68