Structure database (LMSD)

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LM IDLMFA07070006
Common NameO-decanoyl-R-carnitine
Systematic NameO-decanoyl-R-carnitine
SynonymsO-Decanoyl-L-carnitine
Exact Mass
315.2410 (neutral)    Calculate m/z:
FormulaC17H33NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 10:0
PubChem CID11953821
KEGG IDC03299
HMDB IDHMDB0062631
CHEBI ID28717
SWISSLIPIDS IDSLM:000390017
InChIKeyLZOSYCMHQXPBFU-OAHLLOKOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
343.54Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP2.46Molar
Refractivity
86.70