EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230919 - (10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoylcarnitine

ChEBI IDCHEBI:230919
ChEBI Name(10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45NO7
Net Charge0
Average Mass471.635
Monoisotopic Mass471.31960
SMILESCC/C=C/CC(O)C(O)/C=C/C(O)CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H45NO7/c1-5-6-10-14-22(28)23(29)17-16-20(27)13-11-8-7-9-12-15-25(32)33-21(18-24(30)31)19-26(2,3)4/h6,10,16-17,20-23,27-29H,5,7-9,11-15,18-19H2,1-4H3/b10-6+,17-16+
InChIKeyPFTDQTZNQJNVRJ-LYSAYXJDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoylcarnitine (CHEBI:230919) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-[(10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
128312926ChemSpider