Structure database (LMSD)

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LM IDLMFA07070030
Common Name2-ethylacryloylcarnitine
Systematic Name3-[(2-methylidenebutanoyl)oxy]-4-(trimethylammonio)butanoate
Synonyms2-ethylacrylylcarnitine
Exact Mass
243.1471 (neutral)    Calculate m/z:
FormulaC12H21NO4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
AbbrevCAR 5:1
PubChem CID71306333
CHEBI ID71180
InChIKeyAUFJTEGVQXGXTG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h10H,2,6-8H2,1,3-5H3
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SMILES
O(C(C(=C)CC)=O)C(CC([O-])=O)C[N+](C)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
254.40Topological Polar
Surface Area
66.43Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP0.28Molar
Refractivity
63.52