CHEBI:134423 - (4E,7E,10E,13E,16E)-docosapentaenoylcarnitine

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ChEBI Name (4E,7E,10E,13E,16E)-docosapentaenoylcarnitine
ChEBI ID CHEBI:134423
ChEBI ASCII Name (4E,7E,10E,13E,16E)-docosapentaenoylcarnitine
Definition An O-acylcarnitine in which the acyl group is specified as (4E,7E,10E,13E,16E)-docosapentaenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H47NO4
Net Charge 0
Average Mass 473.689
Monoisotopic Mass 473.35051
InChI InChI=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/h9-10,12-13,15-16,18-19,21-22,27H,5-8,11,14,17,20,23-26H2,1-4H3/b10-9+,13-12+,16-15+,19-18+,22-21+
InChIKey KRXOUZZWQXTUIB-IDERWEGCSA-N
SMILES O(C(CC([O-])=O)C[N+](C)(C)C)C(CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Roles Classification
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing (4E,7E,10E,13E,16E)-docosapentaenoylcarnitine (CHEBI:134423) has role mouse metabolite (CHEBI:75771)
(4E,7E,10E,13E,16E)-docosapentaenoylcarnitine (CHEBI:134423) has role rat metabolite (CHEBI:86264)
(4E,7E,10E,13E,16E)-docosapentaenoylcarnitine (CHEBI:134423) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name
3-{[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate
Manual Xref Database
HMDB0006321 HMDB
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Last Modified
30 June 2017