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CHEBI:84843 - (R)-2,6-dimethylheptanoylcarnitine

ChEBI IDCHEBI:84843
ChEBI Name(R)-2,6-dimethylheptanoylcarnitine
Stars
ASCII Name(R)-2,6-dimethylheptanoylcarnitine
DefinitionAn optically active form of 2,6-dimethylheptanoylcarnitine having (R)-configuration.
Last Modified14 April 2015
Submitternhn
DownloadsMolfile
FormulaC16H31NO4
Net Charge0
Average Mass301.427
Monoisotopic Mass301.22531
SMILESCC(C)CCCC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=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/t13?,14-/m1/s1
InChIKeyQBYXBONNCVATNQ-ARLHGKGLSA-N
Roles Classification
Biological Roles:
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 Relation(s)
(R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843) is a 2,6-dimethylheptanoyl carnitine (CHEBI:84095)
(R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843) is a methyl-branched fatty acyl-L-carnitine (CHEBI:133447)
IUPAC Name 
(3R)-3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
2,6-dimethylheptanoyl-L-carnitineChEBI
2,6-dimethylheptanoylcarnitineChEBI
UniProt Name  Source
O-2,6-dimethylheptanoyl-(R)-carnitineUniProt
Citations