EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73047 - (2E,4Z)-decadienoylcarnitine

ChEBI IDCHEBI:73047
ChEBI Name(2E,4Z)-decadienoylcarnitine
Stars
ASCII Name(2E,4Z)-decadienoylcarnitine
DefinitionAn O-acylcarnitine having (2E,4Z)-decadienoyl as the acyl substituent.
Last Modified30 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC17H29NO4
Net Charge0
Average Mass311.422
Monoisotopic Mass311.20966
SMILESCCCCC/C=C\C=C\C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+
InChIKeyURTBCBICNCMCPB-XAZJVICWSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) has functional parent carnitine (CHEBI:17126)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) has role metabolite (CHEBI:25212)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) is a O-acylcarnitine (CHEBI:17387)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) is a O-decadienoylcarnitine (CHEBI:86064)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) is a ammonium betaine (CHEBI:35284)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
cis-4-trans-2-decadienoylcarnitineChEBI
3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoateIUPAC
Citations