Structure database (LMSD)

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LM IDLMFA07070001
Common NameO-hexanoyl-R-carnitine
Systematic NameO-hexanoyl-R-carnitine
Synonyms-
Exact Mass
259.1784 (neutral)    Calculate m/z:
FormulaC13H25NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 6:0
PubChem CID3246938
HMDB IDHMDB0000756
CHEBI ID84834
SWISSLIPIDS IDSLM:000390083
InChIKeyVVPRQWTYSNDTEA-LLVKDONJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
274.34Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP0.90Molar
Refractivity
68.23