Structure database (LMSD)

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LM IDLMFA07070015
Common Name(2E,4Z)-decadienoylcarnitine
Systematic Name3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate;cis-4-trans-2-
decadienoylcarnitine
Exact Mass
311.2097 (neutral)    Calculate m/z:
FormulaC17H29NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevCAR 10:2
PubChem CID71464495
CHEBI ID73047
InChIKeyURTBCBICNCMCPB-XAZJVICWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+
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SMILES
C(C[N+](C)(C)C)(OC(=O)/C=C/C=C\CCCCC)CC(=O)[O-]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
338.26Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP2.01Molar
Refractivity
86.51