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CHEBI:185041 - Alpha-Linolenyl carnitine

ChEBI IDCHEBI:185041
ChEBI NameAlpha-Linolenyl carnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H43NO4
Net Charge0
Average Mass421.622
Monoisotopic Mass421.31921
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
InChIInChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1
InChIKeyDFVGGGHKDAHYIU-UHMZJXMFSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Alpha-Linolenyl carnitine (CHEBI:185041) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(4S)-4-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
30776571ChemSpider
HMDB0006319HMDB