EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230196 - (4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine

ChEBI IDCHEBI:230196
ChEBI Name(4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO5
Net Charge0
Average Mass487.681
Monoisotopic Mass487.32977
SMILESCC/C=C/CC(O)/C=C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C29H45NO5/c1-5-6-18-21-26(31)22-19-16-14-12-10-8-7-9-11-13-15-17-20-23-29(34)35-27(24-28(32)33)25-30(2,3)4/h6,8-11,14-19,22,26-27,31H,5,7,12-13,20-21,23-25H2,1-4H3/b10-8+,11-9+,16-14+,17-15+,18-6+,22-19+
InChIKeyQOKHSZBKELKFGG-NIZVHBQQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine (CHEBI:230196) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-[(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy-4-(trimethylazaniumyl)butanoate