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CHEBI:73057 - O-sebacoylcarnitine

ChEBI IDCHEBI:73057
ChEBI NameO-sebacoylcarnitine
Stars
ASCII NameO-sebacoylcarnitine
DefinitionAn O-acylcarnitine having sebacoyl as the acyl substituent.
Last Modified13 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC17H31NO6
Net Charge0
Average Mass345.436
Monoisotopic Mass345.21514
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C17H31NO6/c1-18(2,3)13-14(12-16(21)22)24-17(23)11-9-7-5-4-6-8-10-15(19)20/h14H,4-13H2,1-3H3,(H-,19,20,21,22)
InChIKeyGBFPILOKXGQZKW-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
O-sebacoylcarnitine (CHEBI:73057) has functional parent carnitine (CHEBI:17126)
O-sebacoylcarnitine (CHEBI:73057) has role metabolite (CHEBI:25212)
O-sebacoylcarnitine (CHEBI:73057) is a O-acylcarnitine (CHEBI:17387)
O-sebacoylcarnitine (CHEBI:73057) is a ammonium betaine (CHEBI:35284)
O-sebacoylcarnitine (CHEBI:73057) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[(9-carboxynonanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-[(9-carboxynonanoyl)oxy]-4-(trimethylammonio)butanoateIUPAC
sebacoylcarnitineChEBI
Citations