Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07070050
Common NameAcetyl-L-carnitine
Systematic Name(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
SynonymsL-Acetylcarnitine
Exact Mass
203.1158 (neutral)    Calculate m/z:
FormulaC9H17NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
PubChem CID7045767
HMDB IDHMDB0000201
SWISSLIPIDS IDSLM:000390028
InChIKeyRDHQFKQIGNGIED-MRVPVSSYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1
SMILESO(C(C)=O)[C@H](CC(=O)[O-])C[N+](C)(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
205.14Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP-0.66Molar
Refractivity
49.77