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CHEBI:85105 - 3-hydroxy-(9Z)-hexadecenoyl-L-carnitine

ChEBI IDCHEBI:85105
ChEBI Name3-hydroxy-(9Z)-hexadecenoyl-L-carnitine
Stars
ASCII Name3-hydroxy-(9Z)-hexadecenoyl-L-carnitine
DefinitionA O-hydroxyhexadecenoyl-L-carnitine in which the acyl group specified is 3-hydroxy-(9Z)-hexadecenoyl.
Last Modified16 April 2015
Submitternamrata
DownloadsMolfile
FormulaC23H43NO5
Net Charge0
Average Mass413.599
Monoisotopic Mass413.31412
SMILESCCCCCC/C=C\CCCCCC(O)CC(=O)O[C@H](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-/t20?,21-/m1/s1
InChIKeyXIOFWXBRLXTMQD-YVCFJIHASA-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-hydroxy-(9Z)-hexadecenoyl-L-carnitine (CHEBI:85105) is a O-hydroxyhexadecenoyl-L-carnitine (CHEBI:85456)
IUPAC Name 
(3R)-3-{[(9Z)-3-hydroxyhexadec-9-enoyl]oxy}-4-(trimethylammonio)butanoate
Manual XrefsDatabases
HMDB0013333HMDB