EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231081 - (13Z)-3-Hydroxyicos-13-enoylcarnitine

ChEBI IDCHEBI:231081
ChEBI Name(13Z)-3-Hydroxyicos-13-enoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H51NO5
Net Charge0
Average Mass469.707
Monoisotopic Mass469.37672
SMILESCCCCCC/C=C/CCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C27H51NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(29)21-27(32)33-25(22-26(30)31)23-28(2,3)4/h10-11,24-25,29H,5-9,12-23H2,1-4H3/b11-10+
InChIKeyLPCNRUGETCJZIK-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(13Z)-3-Hydroxyicos-13-enoylcarnitine (CHEBI:231081) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-[(E)-3-hydroxyicos-13-enoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
128529961ChemSpider