2,6-dimethylheptanoyl carnitine (CHEBI:84095)

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ChEBI Name	2,6-dimethylheptanoyl carnitine

ChEBI ID	CHEBI:84095

Definition	A C₉-acylcarnitine in which the acyl group specified is 2,6-dimethylheptanoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:86054

Supplier Information

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Formula

C16H31NO4

Net Charge

Average Mass

301.42160

Monoisotopic Mass

301.22531

InChI

InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3

InChIKey

QBYXBONNCVATNQ-UHFFFAOYSA-N

SMILES

CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). From MetaboLights See: MetaboLights Study

Roles Classification
Biological Role(s):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples.

ChEBI Ontology
Outgoing	2,6-dimethylheptanoyl carnitine (CHEBI:84095) has role human blood serum metabolite (CHEBI:85234) 2,6-dimethylheptanoyl carnitine (CHEBI:84095) has role human urinary metabolite (CHEBI:84087) 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a ammonium betaine (CHEBI:35284) 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a C₉-acylcarnitine (CHEBI:86493) 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a carboxylic ester (CHEBI:33308)

Incoming	(R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843) is a 2,6-dimethylheptanoyl carnitine (CHEBI:84095)

IUPAC Name

3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate

Synonyms	Sources
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate	IUPAC
O-(2,6-dimethylheptanoyl)carnitine	ChEBI

Citation	Type	Source
17508264	PubMed citation	Europe PMC

Last Modified

07 May 2021