Structure database (LMSD)

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LM IDLMFA07070046
Common Name4,8 dimethylnonanoyl carnitine
Systematic Name3-[(4,8-dimethylnonanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms-
Exact Mass
329.2566 (neutral)    Calculate m/z:
FormulaC18H35NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevCAR 11:0
PubChem CID53477801
HMDB IDHMDB0006202
CHEBI ID63874
InChIKeyDDTDJDZHDFMZED-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3
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SMILES
C(C(OC(=O)CCC(C)CCCC(C)C)CC([O-])=O)[N+](C)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
360.84Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP2.56Molar
Refractivity
91.18