Structure database (LMSD)

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LM IDLMFA07070048
Common Name9-Decenoylcarnitine
Systematic Name3-(dec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms-
Exact Mass
313.2253 (neutral)    Calculate m/z:
FormulaC17H31NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevCAR 10:1
PubChem CID53481651
HMDB IDHMDB0013205
CHEBI ID88543
InChIKeyGOOOCIIXFLVRAG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3
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SMILES
C(C[N+](C)(C)C)(OC(=O)CCCCCCCC=C)CC(=O)[O-]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
340.90Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP2.23Molar
Refractivity
86.61