Structure database (LMSD)

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LM IDLMFA07070004
Common NamePalmitoylcarnitine (W)
Systematic NameO-hexadecanoyl-R-carnitine
SynonymsL-Palmitoylcarnitine
Exact Mass
399.3349 (neutral)    Calculate m/z:
FormulaC23H45NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 16:0
PubChem CID11953816
KEGG IDC02990
HMDB IDHMDB0000222
CHEBI ID17490
SWISSLIPIDS IDSLM:000001044
InChIKeyXOMRRQXKHMYMOC-OAQYLSRUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
447.34Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP4.80Molar
Refractivity
114.40