EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73068 - 3-hydroxypalmitoleoylcarnitine

ChEBI IDCHEBI:73068
ChEBI Name3-hydroxypalmitoleoylcarnitine
Stars
DefinitionAn O-acylcarnitine having 3-hydroxypalmitoleoyl as the acyl substituent.
Last Modified16 June 2015
Submittermwilliams
DownloadsMolfile
FormulaC23H43NO5
Net Charge0
Average Mass413.599
Monoisotopic Mass413.31412
SMILESCCCCCC/C=C\CCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)17-23(28)29-21(18-22(26)27)19-24(2,3)4/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10-
InChIKeyXIOFWXBRLXTMQD-KHPPLWFESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypalmitoleoylcarnitine (CHEBI:73068) has role metabolite (CHEBI:25212)
3-hydroxypalmitoleoylcarnitine (CHEBI:73068) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-{[(9Z)-3-hydroxyhexadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-{[(9Z)-3-hydroxyhexadec-9-enoyl]oxy}-4-(trimethylammonio)butanoateIUPAC
(9Z)-3-hydroxyhexadec-9-enoylcarnitineChEBI
Citations