CHEBI:71180 - 2-ethylacryloylcarnitine

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ChEBI Name 2-ethylacryloylcarnitine
ChEBI ID CHEBI:71180
Definition An O-acylcarnitine compound having 2-ethylacryloyl as the acyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H21NO4
Net Charge 0
Average Mass 243.29940
Monoisotopic Mass 243.14706
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
InChIKey AUFJTEGVQXGXTG-UHFFFAOYSA-N
SMILES CCC(=C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 O-tiglylcarnitine (CHEBI:71179) is tautomer of 2-ethylacryloylcarnitine (CHEBI:71180)
IUPAC Name
3-[(2-methylidenebutanoyl)oxy]-4-(trimethylammonio)butanoate
Synonym Source
2-ethylacrylylcarnitine ChEBI
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
23 April 2013