Structure database (LMSD)

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LM IDLMFA07070095
Common NameO-octanoylcarnitine
Systematic Name3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms3-(octanoyloxy)-4-(trimethylammonio)butanoate;octanoylcarnitine
Exact Mass
287.2097 (neutral)    Calculate m/z:
FormulaC15H29NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 8:0
PubChem CID123701
CHEBI ID73039
InChIKeyCXTATJFJDMJMIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3
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SMILES
O=C(OC(CC([O-])=O)C[N+](C)(C)C)CCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
308.94Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP1.68Molar
Refractivity
77.47