Structure database (LMSD)

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LM IDLMFA07070019
Common Name(5Z,8Z)-3-hydroxytetradecadienoylcarnitine
Systematic Name3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylammonio)
butanoate;5-cis,8-cis-3-hydroxytetradecadienoylcarnitine
Exact Mass
383.2672 (neutral)    Calculate m/z:
FormulaC21H37NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevCAR 14:2;O
PubChem CID71464482
CHEBI ID73108
InChIKeyLVNITLZCNUEXQK-UTJQPWESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/b10-9-,13-12-
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SMILES
O(C(CC(O)C/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 Atoms27Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
416.25Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP2.83Molar
Refractivity
106.88