Structure database (LMSD)

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LM IDLMFA07070005
Common NameO-propanoyl-carnitine
Systematic NameO-propanoyl-carnitine
SynonymsO-Propanoylcarnitine
Exact Mass
217.1314 (neutral)    Calculate m/z:
FormulaC10H19NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 3:0
PubChem CID188824
KEGG IDC03017
HMDB IDHMDB0062514
CHEBI ID53210
SWISSLIPIDS IDSLM:000390084
InChIKeyUFAHZIUFPNSHSL-MRVPVSSYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
222.44Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP-0.27Molar
Refractivity
54.38