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CHEBI:71179 - O-tiglylcarnitine

ChEBI IDCHEBI:71179
ChEBI NameO-tiglylcarnitine
Stars
ASCII NameO-tiglylcarnitine
DefinitionAn O-acylcarnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC12H21NO4
Net Charge0
Average Mass243.303
Monoisotopic Mass243.14706
SMILESC/C=C(\C)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/h6,10H,7-8H2,1-5H3/b9-6+
InChIKeyWURBQCVBQNMUQT-RMKNXTFCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (14518824)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-tiglylcarnitine (CHEBI:71179) has functional parent tiglic acid (CHEBI:9592)
O-tiglylcarnitine (CHEBI:71179) has role human metabolite (CHEBI:77746)
O-tiglylcarnitine (CHEBI:71179) is a O-acylcarnitine (CHEBI:17387)
O-tiglylcarnitine (CHEBI:71179) is tautomer of 2-ethylacryloylcarnitine (CHEBI:71180)
Incoming Relation(s)
O-tiglyl-L-carnitine (CHEBI:85520) is a O-tiglylcarnitine (CHEBI:71179)
2-ethylacryloylcarnitine (CHEBI:71180) is tautomer of O-tiglylcarnitine (CHEBI:71179)
IUPAC Name 
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylammonio)butanoateIUPAC
tiglylcarnitineChEBI
Manual XrefsDatabases
HMDB0002366HMDB
Registry NumbersSources
CAS:64191-86-2HMDB
Citations