Structure database (LMSD)

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LM IDLMFA07070008
Common NameStearoylcarnitine
Systematic NameO-octadecanoyl-R-carnitine
Synonyms-
Exact Mass
427.3662 (neutral)    Calculate m/z:
FormulaC25H49NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 18:0
PubChem CID52922056
HMDB IDHMDB0000848
CHEBI ID84644
SWISSLIPIDS IDSLM:000390019
InChIKeyFNPHNLNTJNMAEE-HSZRJFAPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3/t23-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
481.94Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP5.58Molar
Refractivity
123.64