Structure database (LMSD)

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LM IDLMFA07070007
Common Namehexadecanedioic acid mono-L-carnitine ester
Systematic Name-
Synonyms-
Exact Mass
429.3090 (neutral)    Calculate m/z:
FormulaC23H43NO6
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
AbbrevCAR 16:1;O2
PubChem CID44256593
HMDB IDHMDB00712
CHEBI ID77237
InChIKeyUNHCPLSWMNPZTD-HXUWFJFHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/t20-/m1/s1
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SMILES
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCCCCCCCC(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
462.28Topological Polar
Surface Area
103.73Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
7
 logP3.86Molar
Refractivity
116.37