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CHEBI:134424 - (4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine

ChEBI IDCHEBI:134424
ChEBI Name(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine
Stars
ASCII Name(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine
DefinitionAn O-acylcarnitine in which the acyl group is specified as (4E,7E,10E,13E,16E,19E)-docosahexaenoyl.
Last Modified30 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC29H47NO4
Net Charge0
Average Mass473.698
Monoisotopic Mass473.35051
SMILESCC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+
InChIKeyAOSDFVDGMYPTHD-NQXOOMTHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine (CHEBI:134424) has role mouse metabolite (CHEBI:75771)
(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine (CHEBI:134424) has role rat metabolite (CHEBI:86264)
(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine (CHEBI:134424) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-{[(4E,7E,10E,13E,16E,19E)-docosa-4,8,12,15,19-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
HMDB0006496HMDB
LMFA07070058LIPID MAPS