Structure database (LMSD)

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LM IDLMFA07070003
Common NameO-butanoyl-carnitine
Systematic NameO-butanoyl-carnitine
SynonymsO-Butanoylcarnitine
Exact Mass
231.1471 (neutral)    Calculate m/z:
FormulaC11H21NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 4:0
PubChem CID213144
KEGG IDC02862
HMDB IDHMDB0002013
CHEBI ID21949
SWISSLIPIDS IDSLM:000390085
InChIKeyQWYFHHGCZUCMBN-SECBINFHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
239.74Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP0.12Molar
Refractivity
59.00