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CHEBI:181891 - 3-Octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate

ChEBI IDCHEBI:181891
ChEBI Name3-Octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45NO4
Net Charge0
Average Mass423.638
Monoisotopic Mass423.33486
SMILESCCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3
InChIKeyMJLXQSQYKZWZCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate (CHEBI:181891) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
21238938ChemSpider