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CHEBI:85520 - O-tiglyl-L-carnitine

Default Structure
ChEBI IDCHEBI:85520
ChEBI NameO-tiglyl-L-carnitine
Stars
ASCII NameO-tiglyl-L-carnitine
DefinitionAn O-acyl-L-carnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
Last Modified28 July 2021
Submitternamrata
DownloadsMolfile
FormulaC12H21NO4
Net Charge0
Average Mass243.303
Monoisotopic Mass243.14706
SMILES[H]/C(C)=C(/C)C(=O)O[C@H](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/h6,10H,7-8H2,1-5H3/b9-6+/t10-/m1/s1
InChIKeyWURBQCVBQNMUQT-OLKPEBQYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-tiglyl-L-carnitine (CHEBI:85520) is a O-acyl-L-carnitine (CHEBI:75659)
O-tiglyl-L-carnitine (CHEBI:85520) is a O-tiglylcarnitine (CHEBI:71179)
O-tiglyl-L-carnitine (CHEBI:85520) is a methyl-branched fatty acyl-L-carnitine (CHEBI:133447)
O-tiglyl-L-carnitine (CHEBI:85520) is a monounsaturated fatty acyl-L-carnitine (CHEBI:133446)
IUPAC Name 
(3R)-3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonym  Source
(R)-tiglyl-carnitineChEBI