CHEBI:71179 - O-tiglylcarnitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-tiglylcarnitine
ChEBI ID CHEBI:71179
ChEBI ASCII Name O-tiglylcarnitine
Definition An O-acylcarnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
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/h6,10H,7-8H2,1-5H3/b9-6+
InChIKey WURBQCVBQNMUQT-RMKNXTFCSA-N
SMILES C\C=C(/C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylammonio)butanoate IUPAC
tiglylcarnitine ChEBI
Manual Xref Database
HMDB0002366 HMDB
View more database links
Registry Number Type Source
64191-86-2 CAS Registry Number HMDB
Citations Waiting for Citations
Last Modified
23 October 2015