CHEBI:63874 - O-(4,8-dimethylnonanoyl)carnitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-(4,8-dimethylnonanoyl)carnitine
ChEBI ID CHEBI:63874
ChEBI ASCII Name O-(4,8-dimethylnonanoyl)carnitine
Definition An O-acylcarnitine compound having 4,8-dimethylnonanoyl as the acyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H35NO4
Net Charge 0
Average Mass 329.47480
Monoisotopic Mass 329.25661
InChI InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3
InChIKey DDTDJDZHDFMZED-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
ChEBI Ontology
Outgoing O-(4,8-dimethylnonanoyl)carnitine (CHEBI:63874) has functional parent carnitine (CHEBI:17126)
O-(4,8-dimethylnonanoyl)carnitine (CHEBI:63874) is a O-(dimethylnonanoyl)carnitine (CHEBI:137644)
O-(4,8-dimethylnonanoyl)carnitine (CHEBI:63874) is a ammonium betaine (CHEBI:35284)
O-(4,8-dimethylnonanoyl)carnitine (CHEBI:63874) is a carboxylic ester (CHEBI:33308)
IUPAC Names
3-[(4,8-dimethylnonanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(4,8-dimethylnonanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonym Source
4,8-dimethylnonanoylcarnitine ChEBI
Last Modified
04 July 2017