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CHEBI:71180 - 2-ethylacryloylcarnitine

ChEBI IDCHEBI:71180
ChEBI Name2-ethylacryloylcarnitine
Stars
DefinitionAn O-acylcarnitine compound having 2-ethylacryloyl as the acyl substituent.
Last Modified23 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC12H21NO4
Net Charge0
Average Mass243.303
Monoisotopic Mass243.14706
SMILESC=C(CC)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=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
InChIKeyAUFJTEGVQXGXTG-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-ethylacryloylcarnitine (CHEBI:71180) has functional parent carnitine (CHEBI:17126)
2-ethylacryloylcarnitine (CHEBI:71180) has role metabolite (CHEBI:25212)
2-ethylacryloylcarnitine (CHEBI:71180) is a O-acylcarnitine (CHEBI:17387)
2-ethylacryloylcarnitine (CHEBI:71180) is a ammonium betaine (CHEBI:35284)
2-ethylacryloylcarnitine (CHEBI:71180) is a carboxylic ester (CHEBI:33308)
2-ethylacryloylcarnitine (CHEBI:71180) is tautomer of O-tiglylcarnitine (CHEBI:71179)
Incoming Relation(s)
O-tiglylcarnitine (CHEBI:71179) is tautomer of 2-ethylacryloylcarnitine (CHEBI:71180)
IUPAC Name 
3-[(2-methylidenebutanoyl)oxy]-4-(trimethylammonio)butanoate
Synonym  Source
2-ethylacrylylcarnitineChEBI
Citations