Structure database (LMSD)

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LM IDLMFA07070047
Common Name6-Keto-decanoylcarnitine
Systematic Name3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms-
Exact Mass
329.2202 (neutral)    Calculate m/z:
FormulaC17H31NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesOxo fatty acids[FA0106]
AbbrevCAR 10:1;O
PubChem CID53481649
HMDB IDHMDB0013202
CHEBI ID137055
InChIKeyDZALQUYFNHIYDL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3
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SMILES
C(C)CCC(=O)CCCCC(OC(C[N+](C)(C)C)CC(=O)[O-])=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
349.69Topological Polar
Surface Area
83.50Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
6
 logP1.64Molar
Refractivity
87.09