Structure database (LMSD)

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LM IDLMFA07070020
Common Name(5Z,8Z)-tetradecadienoylcarnitine
Systematic Name3-[(5Z,8Z)-tetradeca-5,8-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(5Z,8Z)-tetradeca-5,8-dienoyloxy]-4-(trimethylammonio)butanoate;5-cis,8cis-
tetradecadienoylcarnitine
Exact Mass
367.2723 (neutral)    Calculate m/z:
FormulaC21H37NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevCAR 14:2
PubChem CID71464539
CHEBI ID73059
InChIKeyREUVFPFCXKWJQA-UTJQPWESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h9-10,12-13,19H,5-8,11,14-18H2,1-4H3/b10-9-,13-12-
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SMILES
O(C(CCC/C=C\C/C=C\CCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
407.46Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP3.57Molar
Refractivity
104.98